##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=7945202.000000
##DATA TYPE=MASS SPECTRUM
##DATA CLASS=PEAK TABLE
##ORIGIN=
##OWNER=
##.IONIZATION MODE=ESI+
##SPECTROMETER/DATA SYSTEM=Orbitrap Elite/Orbitrap Elite
$$ =====================================================
$$ Start of Advanced Chemistry Development specific data
$$ =====================================================
##$ACD DATA TYPE=p
##$MS_FRAGMENTS=ACDTABLE(Fragment,Formula,Label,mzCalc,mzExp,TICCalc,TICExp,RICalc,AQI,RDBE)

$$ =====================================================
$$ End of Advanced Chemistry Development specific data
$$ =====================================================
##NPOINTS=764
##FIRSTX=84.42237854
##LASTX=342.17898560
##MAXX=10000.00000000
##MINX=0.00000000
##MAXY=0.00000000
##MINY=0.00000000
##XFACTOR=1.0000000000
##YFACTOR=1.000000000000000
##FIRSTY=0.00000000
##XUNITS=M/Z
##YUNITS=RELATIVE ABUNDANCE
##PEAK TABLE=(XY..XY)
84.422378540039, 0 84.422714233398, 3.052994 84.423042297363, 4.389493
84.423377990723, 5.094264 84.423706054687, 4.826492 84.424041748047, 3.749077
84.424392700195, 0 90.855613708496, 0 90.855987548828, 3.08361 90.85636138916, 4.54638
90.856727600098, 5.116689 90.85710144043, 4.303995 90.857467651367, 2.507459
90.857849121094, 0 94.785774230957, 0 94.786163330078, 3.31348 94.786560058594, 5.003694
94.786956787109, 5.520272 94.78734588623, 4.414133 94.787742614746, 2.443101
94.788146972656, 0 99.465606689453, 0 99.466033935547, 2.50927 99.466453552246, 4.038118
99.46688079834, 5.122161 99.467308044434, 4.742886 99.467727661133, 3.030752
99.46817779541, 0 109.952362060547, 0 109.952857971191, 2.474065 109.953353881836, 4.13449
109.953842163086, 5.041088 109.95433807373, 4.620482 109.95482635498, 3.169879
109.955337524414, 0 114.963935852051, 0 114.964462280273, 2.203972 114.964988708496, 3.928692
114.965515136719, 4.972742 114.966041564941, 4.610591 114.966575622559, 3.049628
114.96711730957, 0 123.159233093262, 0 123.159820556641, 3.139743 123.160400390625, 4.902587
123.160987854004, 5.420756 123.161567687988, 4.505603 123.162155151367, 2.914515
123.162742614746, 0 123.561798095703, 0 123.562385559082, 3.821446 123.562973022461, 4.329948
123.56356048584, 7.816147 123.564147949219, 7.540982 123.564735412598, 4.762859
123.565322875977, 2.427802 123.565910339355, 0 123.932693481445, 0 123.933288574219, 2.192782
123.933876037598, 3.916613 123.934463500977, 4.662032 123.93505859375, 3.93378
123.935646057129, 2.550665 123.936233520508, 0 123.936828613281, 2.745753
123.93741607666, 4.269522 123.938003540039, 5.040563 123.938598632812, 4.171469
123.939186096191, 2.106152 123.93977355957, 0 124.124092102051, 0 124.124687194824, 2.575274
124.125274658203, 4.176066 124.125869750977, 5.415041 124.126457214355, 5.420879
124.127052307129, 4.124489 124.127639770508, 2.286932 124.128273010254, 0
138.882781982422, 0 138.883483886719, 3.588375 138.884185791016, 5.191963
138.884887695313, 5.618562 138.885589599609, 4.544715 138.886291503906, 2.653627
138.886993408203, 0 145.681442260742, 0 145.682189941406, 2.662348 145.68293762207, 4.551373
145.683685302734, 5.515303 145.684448242187, 4.61913 145.685195922852, 2.495117
145.685974121094, 0 166.625732421875, 0 166.626647949219, 3.028915 166.627578735352, 4.788122
166.628494262695, 5.344834 166.629409790039, 4.46047 166.630340576172, 2.803786
166.631271362305, 0 172.057144165039, 0 172.05810546875, 3.806167 172.059066772461, 5.728432
172.060028076172, 6.492054 172.061004638672, 5.458672 172.061965942383, 3.152899
172.062927246094, 0 174.376556396484, 0 174.377548217773, 3.692494 174.378524780273, 5.172743
174.379516601562, 5.787026 174.380493164062, 5.053335 174.381484985352, 3.342872
174.382476806641, 0 177.073272705078, 0 177.074279785156, 2.375554 177.075286865234, 4.229963
177.076293945313, 5.818708 177.077301025391, 6.163079 177.078308105469, 5.089084
177.079315185547, 3.273139 177.080337524414, 0 185.144989013672, 0 185.146072387695, 3.077038
185.14714050293, 4.710925 185.148223876953, 5.307613 185.149291992187, 4.604321
185.150375366211, 3.19884 185.151473999023, 0 191.878204345703, 0 191.879348754883, 3.030686
191.880477905273, 4.803574 191.881622314453, 5.430787 191.882751464844, 4.580374
191.883895874023, 2.917048 191.885147094727, 0 192.093338012695, 0 192.094482421875, 1.313823
192.095611572266, 5.327306 192.096755981445, 10.914834 192.097900390625, 34.927341
192.099029541016, 113.974965 192.100173950195, 219.523597 192.101318359375, 324.721408
192.102447509766, 300.839543 192.103591918945, 187.384844 192.104721069336, 82.663965
192.105865478516, 21.774782 192.107009887695, 7.126658 192.108139038086, 7.031573
192.109283447266, 4.508904 192.110305786133, 5.121506 192.111450195313, 1.080891
192.112976074219, 0 193.099548339844, 0 193.100692749023, 1.054052 193.101837158203, 4.501309
193.102981567383, 13.827799 193.104141235352, 24.469155 193.105285644531, 31.535438
193.106430053711, 23.586735 193.107574462891, 12.805673 193.108734130859, 3.07885
193.109588623047, 0 197.594436645508, 0 197.595626831055, 3.291542 197.596801757812, 4.748423
197.597991943359, 5.445835 197.599182128906, 4.719995 197.600372314453, 2.939393
197.6015625, 0 199.192260742187, 0 199.193466186523, 4.00595 199.194671630859, 5.824677
199.195861816406, 6.364731 199.197067260742, 5.243022 199.198272705078, 3.231081
199.199493408203, 0 202.937805175781, 0 202.939041137695, 2.397805 202.940277099609, 4.525932
202.941513061523, 5.553242 202.942749023438, 4.729531 202.944000244141, 2.759764
202.94514465332, 0 203.456771850586, 0 203.458023071289, 3.586667 203.459259033203, 4.831051
203.460494995117, 5.15783 203.46174621582, 4.241373 203.462982177734, 2.500468
203.464218139648, 0 204.320877075195, 0 204.322113037109, 2.706879 204.323364257812, 4.609883
204.324615478516, 5.463733 204.325866699219, 4.576036 204.327117919922, 2.647164
204.328369140625, 0 208.850189208984, 0 208.851486206055, 3.001525 208.852783203125, 4.561394
208.854064941406, 5.105767 208.855361938477, 4.267259 208.856643676758, 2.597996
208.857879638672, 0 219.4599609375, 0 219.461349487305, 2.911791 219.462753295898, 4.465876
219.464141845703, 5.284771 219.465530395508, 4.629596 219.466918945312, 2.842856
219.468307495117, 0 221.053665161133, 0 221.055084228516, 2.423462 221.056488037109, 4.526756
221.057891845703, 7.339005 221.059295654297, 9.76293 221.060699462891, 6.360979
221.062103271484, 4.254426 221.063507080078, 2.125874 221.064926147461, 0
225.085830688477, 0 225.087280273438, 2.140604 225.088729858398, 4.603975
225.09016418457, 6.836125 225.091613769531, 7.82769 225.093063354492, 4.391894
225.094497680664, 1.141151 225.09587097168, 0 233.088973999023, 0 233.09049987793, 0.352018
233.092010498047, 4.784108 233.093536376953, 11.063442 233.095062255859, 17.887826
233.096588134766, 18.708646 233.098098754883, 12.810487 233.099624633789, 6.965026
233.100921630859, 0 233.101150512695, 2.717157 235.067611694336, 0 235.069152832031, 3.074256
235.070693969727, 11.227644 235.072235107422, 20.044026 235.073776245117, 22.284918
235.075317382812, 14.769134 235.076858520508, 7.313164 235.078399658203, 2.422937
235.080764770508, 0 237.083541870117, 0 237.085098266602, 0.702508 237.086654663086, 6.752193
237.088226318359, 14.084375 237.089782714844, 20.315929 237.091339111328, 16.727096
237.092910766602, 9.563806 237.094467163086, 3.516414 237.096969604492, 0
238.056976318359, 0 238.058547973633, 3.524042 238.060119628906, 4.74403
238.06169128418, 5.068546 238.063262939453, 4.396825 238.064834594727, 3.066725
238.06640625, 0 239.063934326172, 0 239.065521240234, 1.536294 239.067092895508, 6.104121
239.06867980957, 11.24037 239.070251464844, 13.850431 239.071838378906, 9.7798
239.073425292969, 4.98773 239.074996948242, 1.244489 239.076583862305, 0
241.574920654297, 0 241.576538085938, 3.185329 241.578140258789, 4.819579
241.579742431641, 5.297782 241.581344604492, 4.334387 241.582962036133, 2.610633
241.58447265625, 0 245.324096679688, 0 245.325744628906, 3.010834 245.327377319336, 4.610244
245.329025268555, 5.274768 245.330673217773, 4.46858 245.332321166992, 2.738194
245.333969116211, 0 249.085647583008, 0 249.087341308594, 3.333218 249.089019775391, 4.9195
249.090698242187, 5.44876 249.092376708984, 4.60301 249.094055175781, 2.924973
249.095825195313, 0 251.098556518555, 0 251.100250244141, 3.914458 251.101959228516, 15.316366
251.103652954102, 30.601856 251.105361938477, 46.606007 251.107055664062, 46.379742
251.108764648438, 30.411252 251.110458374023, 15.034916 251.112167358398, 4.351889
251.113861083984, 0.874996 251.115493774414, 0 252.103775024414, 0 252.105499267578, 4.155263
252.107208251953, 10.201553 252.108917236328, 16.647081 252.110626220703, 16.477728
252.112335205078, 10.512604 252.114059448242, 4.995802 252.115768432617, 2.477624
252.117263793945, 0 253.075302124023, 0 253.077026367187, 2.412327 253.078750610352, 4.819037
253.080474853516, 19.076286 253.08219909668, 52.508736 253.083923339844, 88.29354
253.085632324219, 107.23443 253.087356567383, 78.494942 253.089080810547, 43.6647
253.090805053711, 14.096548 253.092529296875, 4.068478 253.093734741211, 0
254.081604003906, 0 254.083343505859, 3.444507 254.085067749023, 12.712565
254.086807250977, 22.414035 254.088531494141, 29.161835 254.090270996094, 23.141055
254.091995239258, 13.678169 254.093734741211, 5.473662 254.095458984375, 1.68156
254.097930908203, 0 255.554061889648, 0 255.555816650391, 2.290775 255.557556152344, 4.541278
255.559310913086, 6.259069 255.561050415039, 6.29991 255.562805175781, 4.658769
255.564544677734, 2.642596 255.566207885742, 0 261.084625244141, 0 261.08642578125, 3.322084
261.088226318359, 5.45671 261.090026855469, 9.05821 261.091827392578, 9.358577
261.093627929688, 5.510143 261.095428466797, 3.296724 261.097290039062, 0
265.070098876953, 0 265.071960449219, 2.380647 265.073791503906, 11.980817
265.075653076172, 20.069517 265.077484130859, 32.151496 265.079315185547, 107.382631
265.081176757813, 366.43374 265.0830078125, 719.586849 265.084869384766, 1079.009533
265.086700439453, 1020.466328 265.088562011719, 644.566631 265.090393066406, 295.850253
265.092254638672, 86.140609 265.094085693359, 34.500748 265.095947265625, 31.89182
265.097778320313, 23.334137 265.099639892578, 13.726795 265.101470947266, 2.704092
265.103149414062, 0 266.078674316406, 0 266.080535888672, 3.505649 266.082397460938, 18.253592
266.084259033203, 68.966049 266.086120605469, 143.0197 266.087982177734, 222.128391
266.089813232422, 223.058677 266.091674804687, 145.02213 266.093536376953, 71.796983
266.095397949219, 21.378011 266.097259521484, 6.390429 266.09912109375, 3.739369
266.101165771484, 0 267.091552734375, 0 267.093414306641, 3.891158 267.095275878906, 14.149439
267.097137451172, 47.650146 267.098999023438, 89.557403 267.100860595703, 128.761876
267.102752685547, 114.099443 267.104614257812, 69.654948 267.106475830078, 28.984773
267.108337402344, 7.141768 267.110198974609, 1.48897 267.111724853516, 0
268.096496582031, 0 268.098388671875, 1.803254 268.100250244141, 7.440999
268.102142333984, 14.552355 268.10400390625, 20.924835 268.105895996094, 17.936498
268.107757568359, 10.719153 268.109649658203, 4.39074 268.111511230469, 1.415494
268.114196777344, 0 269.108306884766, 0 269.110198974609, 1.693952 269.112091064453, 7.074483
269.113983154297, 18.517165 269.115844726563, 31.445962 269.117736816406, 36.665305
269.11962890625, 25.46829 269.121520996094, 13.09813 269.123413085938, 2.865977
269.124786376953, 0 270.113128662109, 0 270.115020751953, 2.207892 270.116912841797, 6.015122
270.118804931641, 10.243562 270.120727539062, 10.973559 270.122619628906, 7.364301
270.12451171875, 3.812596 270.126403808594, 0 271.087829589844, 0 271.089752197266, 1.461603
271.091644287109, 6.732727 271.093566894531, 13.001673 271.095458984375, 18.326153
271.097381591797, 15.575485 271.099273681641, 9.355757 271.101196289062, 3.795416
271.103088378906, 0 279.085021972656, 0 279.087005615234, 1.520227 279.088989257813, 6.600139
279.091003417969, 9.426556 279.092987060547, 20.043114 279.094970703125, 70.070046
279.096984863281, 226.369429 279.098968505859, 413.53898 279.100952148438, 580.403185
279.102966308594, 497.995806 279.104949951172, 301.813579 279.10693359375, 120.694578
279.108947753906, 33.046651 279.110931396484, 12.558061 279.112915039062, 12.132433
279.114929199219, 6.628744 279.116912841797, 4.924658 279.118896484375, 0.961143
279.120849609375, 0 280.092620849609, 0 280.094635009766, 0.782303 280.096649169922, 4.502736
280.0986328125, 17.805797 280.100646972656, 54.303187 280.102661132812, 94.335866
280.104644775391, 125.013006 280.106658935547, 100.232005 280.108673095703, 59.183645
280.110656738281, 21.283615 280.112670898438, 5.177809 280.114685058594, 0.69014
280.116638183594, 0 281.037231445313, 0 281.039245605469, 3.247444 281.041259765625, 4.820843
281.043273925781, 5.502022 281.045288085938, 4.881354 281.047302246094, 3.331668
281.049163818359, 0 281.107604980469, 0 281.109619140625, 3.327432 281.111633300781, 15.287085
281.113647460938, 34.68658 281.115661621094, 55.796933 281.11767578125, 57.936984
281.119689941406, 37.860462 281.121734619141, 18.646444 281.123748779297, 5.493102
281.125762939453, 2.540142 281.127960205078, 0 282.077850341797, 0 282.079864501953, 2.205185
282.081909179688, 11.729016 282.083923339844, 40.241361 282.085968017578, 76.701212
282.087982177734, 111.739647 282.089996337891, 100.748897 282.092041015625, 62.258261
282.094055175781, 27.211103 282.096069335938, 7.789614 282.098114013672, 2.49513
282.100067138672, 0 282.112243652344, 0 282.1142578125, 2.244021 282.116302490234, 8.419259
282.118316650391, 15.054688 282.120330810547, 16.613761 282.122375488281, 10.66891
282.124389648438, 5.019891 282.126434326172, 1.085718 282.127502441406, 0
283.082427978516, 0 283.08447265625, 0.043563 283.086517333984, 5.169101
283.088562011719, 15.426421 283.090576171875, 26.306912 283.092620849609, 32.696694
283.094665527344, 25.676882 283.096710205078, 15.424189 283.098724365234, 6.516258
283.100769042969, 1.906938 283.103759765625, 0 283.126190185547, 0 283.128234863281, 2.984249
283.130249023437, 7.907468 283.132293701172, 12.965943 283.134338378906, 11.963827
283.136383056641, 6.945445 283.138397216797, 2.588616 283.140289306641, 0
284.09423828125, 0 284.096282958984, 3.628549 284.098358154297, 16.864359
284.100402832031, 38.505912 284.102447509766, 62.092036 284.1044921875, 66.717714
284.106536865234, 45.097256 284.108581542969, 23.168682 284.110626220703, 6.854018
284.112670898437, 2.189928 284.115142822266, 0 285.098724365234, 0 285.100799560547, 1.194059
285.102844238281, 6.660224 285.104888916016, 23.572794 285.106964111328, 74.863571
285.109008789063, 147.380018 285.111083984375, 222.936654 285.113128662109, 217.419171
285.115203857422, 139.638567 285.117248535156, 66.618264 285.119323730469, 18.45317
285.121368408203, 5.629306 285.123443603516, 5.37721 285.12548828125, 4.786349
285.127288818359, 6.131569 285.129364013672, 0.104744 285.131469726563, 0
286.105865478516, 0 286.107940673828, 2.243471 286.110015869141, 9.403197
286.112060546875, 21.228805 286.114135742188, 34.291157 286.1162109375, 36.864316
286.118286132813, 24.766193 286.120361328125, 12.395307 286.122436523438, 3.4535
286.124328613281, 0 296.095703125, 0 296.097900390625, 1.786133 296.100067138672, 7.737323
296.102233886719, 14.576773 296.104431152344, 19.735949 296.106597900391, 15.147378
296.108795166016, 8.15742 296.110961914063, 2.087305 296.113128662109, 0
297.096466064453, 0 297.098663330078, 99.38823 297.100830078125, 192.232287
297.10302734375, 449.031544 297.105224609375, 1393.226242 297.107421875, 4181.375504
297.109588623047, 7374.716187 297.111785888672, 10000 297.113983154297, 8218.613434
297.116180419922, 4906.033325 297.118347167969, 1802.524757 297.120544433594, 466.569519
297.122741699219, 180.196548 297.124694824219, 209.068561 297.126892089844, 138.232481
297.129089355469, 87.475497 297.131286621094, 0 298.099761962891, 0 298.101959228516, 11.947909
298.104156494141, 23.748802 298.106353759766, 64.97522 298.108551025391, 220.617867
298.110748291016, 673.815203 298.112945556641, 1189.851761 298.115173339844, 1615.796471
298.117370605469, 1334.582138 298.119567871094, 800.293064 298.121765136719, 303.002644
298.123962402344, 83.25327 298.126159667969, 29.302934 298.128356933594, 26.08946
298.130554199219, 11.322505 298.132781982422, 3.284391 298.134857177734, 0
299.110321044922, 0 299.112548828125, 9.369939 299.11474609375, 29.861131
299.116973876953, 41.021428 299.119171142578, 118.526602 299.121398925781, 413.143635
299.123596191406, 1001.94912 299.125823974609, 1642.003632 299.128021240234, 1890.859222
299.130249023438, 1337.732697 299.132446289063, 726.156139 299.134674072266, 222.159505
299.136871337891, 68.690145 299.139099121094, 46.375823 299.141296386719, 40.900844
299.143524169922, 19.551305 299.145721435547, 6.041819 299.14794921875, 0
300.117340087891, 0 300.119567871094, 3.526909 300.121795654297, 11.26626
300.1240234375, 42.076683 300.126251220703, 132.81039 300.128479003906, 236.967778
300.130706787109, 324.265361 300.132904052734, 269.702172 300.135131835937, 161.864913
300.137359619141, 62.040663 300.139587402344, 17.518798 300.141815185547, 6.243974
300.14404296875, 4.836908 300.146270751953, 0.410317 300.1484375, 0 304.871429443359, 0
304.873718261719, 2.820567 304.8759765625, 4.556123 304.878265380859, 5.421116
304.880523681641, 4.700028 304.8828125, 2.789979 304.88525390625, 0 310.131622314453, 0
310.133972167969, 3.89329 310.136291503906, 13.542861 310.138641357422, 46.059632
310.140960693359, 86.659223 310.143310546875, 124.430013 310.145660400391, 108.82858
310.147979736328, 65.789342 310.150329589844, 26.219699 310.152648925781, 6.492182
310.154998779297, 2.191434 310.157318115234, 0 311.105590820313, 0 311.107940673828, 2.91874
311.110290527344, 4.793851 311.112640380859, 20.655662 311.114990234375, 40.205958
311.117340087891, 59.704995 311.119689941406, 174.148452 311.122009277344, 581.578875
311.124359130859, 1192.273235 311.126708984375, 1845.061874 311.129058837891, 1850.006294
311.131408691406, 1195.245075 311.133758544922, 579.208231 311.136108398438, 160.110962
311.138458251953, 54.309112 311.140655517578, 54.429579 311.143005371094, 51.201665
311.145355224609, 39.642975 311.147705078125, 0.574669 311.150054931641, 0
312.114868164063, 0 312.117248535156, 2.025395 312.119598388672, 4.633176
312.121948242187, 15.192841 312.124328613281, 49.837586 312.126678466797, 144.651937
312.129028320313, 246.569085 312.131378173828, 319.856048 312.133758544922, 249.478006
312.136108398438, 146.143448 312.138458251953, 47.905445 312.140838623047, 11.533421
312.143188476562, 2.96939 312.145629882813, 0 313.126739501953, 0 313.129119873047, 2.873012
313.131500244141, 7.362935 313.133850097656, 14.62397 313.13623046875, 42.401287
313.138610839844, 128.562069 313.140960693359, 232.816339 313.143341064453, 324.671483
313.145721435547, 276.46215 313.148071289063, 166.484523 313.150451660156, 64.587843
313.15283203125, 16.119549 313.155181884766, 5.392921 313.157257080078, 5.747908
313.159637451172, 3.650577 313.161987304687, 0 314.135986328125, 0 314.138366699219, 4.298992
314.140747070313, 19.00235 314.143127441406, 42.522046 314.1455078125, 68.103635
314.147888183594, 70.418185 314.150268554687, 45.675293 314.152648925781, 21.867107
314.155029296875, 5.808089 314.157409667969, 1.890429 314.159698486328, 0
317.706848144531, 0 317.709259033203, 2.770387 317.711669921875, 4.625281
317.714111328125, 5.515423 317.716522216797, 5.011755 317.718933105469, 3.604345
317.720153808594, 0 323.141296386719, 0 323.143768310547, 4.367881 323.146270751953, 12.096564
323.148742675781, 20.57782 323.151214599609, 22.919036 323.153717041016, 15.825821
323.156188964844, 8.38796 323.15869140625, 2.738589 323.162384033203, 0
324.151000976562, 0 324.153503417969, 4.223281 324.156005859375, 9.935576
324.158477783203, 12.151584 324.160980224609, 9.687569 324.163482666016, 5.217936
324.165985107422, 1.223932 324.16845703125, 0 324.978729248047, 0 324.981231689453, 1.738025
324.983734130859, 4.509185 324.986267089844, 6.554894 324.98876953125, 6.634204
324.991271972656, 3.104797 324.993713378906, 0 327.136566162109, 0 327.139099121094, 2.259677
327.141632080078, 8.651876 327.144165039063, 15.81053 327.146697998047, 21.302408
327.149230957031, 16.71941 327.151763916016, 9.319425 327.154296875, 2.741621
327.15673828125, 0 342.162750244141, 0 342.165435791016, 1.094909 342.168151855469, 5.49321
342.170867919922, 9.306552 342.173583984375, 6.381199 342.17626953125, 3.274822
342.178985595703, 0 
##END=$$ End of the data block
