##TITLE=$$ Begin of the data block
##JCAMP-DX=5.00 $$ ACD/Spectrus 2014 v 14.02
##TIC=31421.808594
##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=405
##FIRSTX=106.13580322
##LASTX=403.37603760
##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)
106.135802967273, 0 106.136270763251, 59.772646 106.136738562321, 81.052047
106.137206364483, 89.347589 106.137674169739, 80.168182 106.138141978087, 57.391286
106.138601861965, 0 109.617716220251, 0 109.61820722395, 51.188606 109.618698230947, 79.788309
109.619189241244, 87.887025 109.61968025484, 71.007299 109.620171271735, 41.467792
109.620662106393, 0 109.699759402171, 0 109.70025095721, 54.211211 109.700742515552, 82.466108
109.701234077199, 89.784658 109.70172564215, 72.115523 109.702217210405, 43.641159
109.702701267791, 0 113.021520728077, 0 113.022034778096, 58.878148 113.022548831621, 115.260363
113.023062888654, 185.483706 113.023576949194, 197.044826 113.024091013241, 120.211649
113.024605080795, 44.750214 113.02510542809, 0 119.032075574705, 0 119.032631171466, 44.805965
119.033186772116, 120.129013 119.033742376656, 194.208467 119.034297985086, 203.787184
119.034853597407, 118.614185 119.035409213617, 35.952407 119.035960096138, 0
121.126113780699, 0 121.126684103037, 58.448005 121.127254429403, 81.76828
121.127824759797, 87.473029 121.128395094219, 74.068415 121.12896543267, 49.291322
121.129532802308, 0 122.439884245486, 0 122.440463871782, 64.397222 122.441043502193, 88.635248
122.44162313672, 93.32006 122.442202775364, 77.863574 122.442782418123, 52.74235
122.443994390186, 0 123.042055481563, 0 123.042639384593, 64.801461 123.04322329178, 125.048208
123.043807203123, 255.041981 123.044391118622, 404.375792 123.044975038278, 450.305796
123.045558962091, 290.764427 123.04614289006, 121.092236 123.046726822186, 0
125.008499625301, 0 125.009097586554, 49.795857 125.009695552097, 78.405017
125.01029352193, 104.134083 125.010891496054, 113.995814 125.011489474468, 99.365312
125.012087457173, 65.306109 125.012680852807, 0 127.037217241498, 0 127.037829817809, 38.635597
127.03844239855, 77.332038 127.039054983723, 104.682827 127.039667573326, 102.294433
127.04028016736, 72.087067 127.040892765825, 35.803708 127.041497180475, 0
130.618165682309, 0 130.618804341447, 47.565663 130.619443005269, 76.037812
130.620081673776, 88.927704 130.620720346967, 77.363205 130.621359024842, 49.050403
130.621997611417, 0 130.660327138943, 0 130.66096610733, 42.453325 130.661605080404, 70.368505
130.662244058166, 87.575316 130.662883040614, 85.450846 130.66352202775, 66.241735
130.664160178124, 0 131.032358157017, 0 131.032999856365, 49.955317 131.033641560426, 84.867501
131.034283269201, 92.981988 131.03492498269, 72.419095 131.035566700894, 42.357239
131.036207299239, 0 131.529155334299, 0 131.529800686524, 61.324197 131.530446043498, 86.39816
131.531091405222, 89.46138 131.531736771696, 69.334275 131.53238214292, 39.057314
131.53367513893, 0 141.050283105908, 0 141.050999779939, 28.019243 141.051716459432, 86.740869
141.052433144387, 151.745987 141.053149834805, 300.175929 141.053866530684, 608.743095
141.054583232026, 968.43338 141.055299938831, 1118.590546 141.056016651098, 770.255136
141.056733368828, 376.64454 141.05745009202, 21.622114 141.05749478561, 0
142.223630379711, 0 142.224356020125, 56.914759 142.225081666092, 82.12353
142.225807317613, 85.658419 142.226532974688, 68.148941 142.227258637316, 44.58932
142.228751399552, 0 143.030362075721, 0 143.031093893037, 23.09716 143.03182571597, 81.138211
143.032557544518, 155.924547 143.033289378684, 295.77477 143.034021218466, 451.944733
143.034753063866, 469.949865 143.035484914882, 289.05251 143.036216771514, 112.770188
143.036948633764, 0 144.607883864145, 0 144.608627827923, 37.078518 144.609371797441, 70.857084
144.6101157727, 85.793787 144.610859753701, 75.106102 144.611603740444, 50.628603
144.612325899787, 0 154.191463935769, 0 154.19228306869, 45.669061 154.193102208138, 74.440455
154.193921354114, 85.628873 154.194740506618, 70.660979 154.195559665648, 41.183868
154.197202849501, 0 155.027078989838, 0 155.027904783913, 56.708437 155.028730584587, 87.756974
155.029556391859, 119.476426 155.030382205729, 145.002186 155.031208026198, 202.868176
155.032033853265, 375.228357 155.032859686931, 756.533766 155.033685527196, 1199.027443
155.034511374059, 1397.604752 155.035337227522, 964.618874 155.036163087583, 473.638344
155.036988954243, 21.844341 155.036988780321, 0 155.086553254765, 0 155.087379530698, 50.358647
155.088205813235, 70.237428 155.089032102375, 78.527772 155.089858398119, 73.05702
155.090684700466, 56.931502 155.091502151084, 0 158.936130652076, 0 158.936987883061, 51.258397
158.937845120981, 78.93545 158.938702365837, 85.203522 158.939559617627, 68.13426
158.940416876354, 40.875909 158.942452145339, 0 161.041027775273, 0 161.041902082227, 24.508385
161.042776396301, 139.98847 161.043650717495, 242.074943 161.044525045809, 354.583979
161.045399381244, 368.795085 161.046273723799, 237.571025 161.047148073475, 101.016819
161.048022430271, 0 166.027913199309, 0 166.0288284406, 63.615352 166.029743689459, 89.369768
166.030658945886, 94.407129 166.031574209881, 75.369781 166.032489481445, 45.109543
166.03340473872, 0 166.037065930933, 0 166.037981247907, 44.688547 166.038896572451, 68.847734
166.039811904564, 82.06498 166.040727244245, 77.266908 166.041642591496, 58.310229
166.042528300922, 0 179.029134118808, 0 179.030158943471, 39.106449 179.031183776934, 109.736121
179.032208619197, 180.173004 179.03323347026, 222.579026 179.034258330122, 166.672957
179.035283198785, 83.01813 179.036308076248, 0 179.047342921974, 0 179.048367896246, 55.204171
179.049392879319, 129.054856 179.050417871194, 189.815974 179.05144287187, 291.220403
179.052467881347, 617.979574 179.053492899627, 1260.179424 179.054517926709, 1978.135681
179.055542962592, 2161.156654 179.056568007278, 1415.554047 179.057593060765, 656.619692
179.058618123056, 32.965276 179.058909588067, 0 186.991981837152, 0 186.993075789161, 44.30548
186.994169750769, 70.929468 186.995263721978, 86.716819 186.996357702786, 80.683464
186.997451693195, 55.913854 186.999823755905, 0 225.065415376799, 0 225.066859895573, 37.16172
225.068304428254, 84.064341 225.069748974842, 127.668488 225.071193535337, 216.356802
225.072638109739, 505.575657 225.07408269805, 938.406944 225.075527300268, 1378.884506
225.076971916394, 1293.155193 225.078416546428, 773.030806 225.079861190371, 289.996886
225.081305848222, 0 226.073075824596, 0 226.074530065945, 53.083444 226.075984321326, 88.19412
226.077438590739, 111.790204 226.078892874185, 107.905054 226.080347171663, 76.954871
226.081801483173, 35.781235 226.084676319751, 0 243.072097593443, 0 243.073718888695, 86.303443
243.075340200168, 112.196338 243.076961527863, 314.87 243.07858287178, 655.646992
243.080204231919, 1110.935688 243.081825608279, 2066.496849 243.083447000862, 4729.394531
243.085068409668, 7818.465424 243.086689834696, 10000 243.088311275947, 7650.550842
243.089932733422, 4312.988663 243.091554207119, 918.954182 243.093175697041, 0
243.100031636367, 0 243.101653223525, 155.233502 243.103274827017, 308.784819
243.104896446736, 39.279586 243.106518059962, 0 244.082432946827, 0 244.084064373625, 55.918509
244.085695816779, 144.9947 244.08732727629, 255.975866 244.088958752158, 344.179249
244.090590244383, 273.487282 244.092221752966, 146.54758 244.093853277906, 30.384439
244.095581100685, 0 258.408980834937, 0 258.41075798467, 63.880515 258.412535152736, 85.485953
258.414312339136, 91.059852 258.416089543869, 79.228055 258.417866766936, 57.246584
258.419647020198, 0 279.199200163967, 0 279.2011960418, 50.022054 279.203191941034, 74.092221
279.205187861671, 85.768557 279.207183803709, 76.168036 279.20917976715, 49.715972
279.21277779163, 0 285.084187980459, 0 285.08624727638, 44.616973 285.088306594614, 75.981712
285.090365935161, 139.030612 285.092425298022, 322.272563 285.094484683197, 582.63073
285.096544090686, 833.356857 285.09860352049, 753.84407 285.100662972609, 445.140219
285.102722447044, 157.401371 285.104781943794, 0 301.104450861368, 0 301.106686175416, 55.464846
301.108921514355, 82.779777 301.111156878187, 93.194652 301.113392266911, 77.642202
301.115627680527, 45.393008 301.117864857423, 0 306.537132065179, 0 306.539428147408, 47.961009
306.541724255436, 77.244413 306.544020389262, 92.655426 306.546316548887, 84.87004
306.54861273431, 59.849429 306.550906710941, 0 315.097599006578, 0 315.099991939263, 70.226598
315.102384899207, 152.159595 315.10477788641, 242.262006 315.107170900873, 241.652775
315.109563942596, 146.366763 315.11195701158, 58.735073 315.114350986047, 0
317.986422884343, 0 317.988848800103, 62.129176 317.991274743625, 100.31743
317.993700714908, 113.58844 317.996126713953, 90.608412 317.998552740761, 49.473655
318.000981502751, 0 345.107630433253, 0 345.110373237343, 50.159103 345.113116074132, 114.469624
345.11585894362, 172.04535 345.118601845807, 162.726438 345.121344780694, 98.681486
345.124087748282, 52.256799 345.126834225307, 0 357.17629400795, 0 357.179181939681, 56.228906
357.182069906437, 83.400995 357.18495790822, 93.634176 357.187845945029, 80.675501
357.190734016865, 51.970518 357.19649847568, 0 360.998473392102, 0 361.001407768718, 41.121045
361.004342181113, 90.414846 361.007276629287, 217.893243 361.010211113241, 377.501488
361.013145632975, 513.55176 361.01608018849, 425.994158 361.019014779786, 237.057281
361.021949406865, 57.277399 361.022004541521, 0 367.014847682821, 0 367.017855756526, 43.262663
367.020863867214, 74.931872 367.023872014883, 87.841624 367.026880199535, 74.200583
367.029888421171, 46.275127 367.034879039582, 0 373.089220392854, 0 373.09230342912, 85.320663
373.095386503602, 180.889165 373.0984696163, 284.757757 373.101552767214, 494.16399
373.104635956346, 1130.646324 373.107719183696, 2234.592438 373.110802449265, 3446.522522
373.113885753053, 3634.380722 373.116969095061, 2359.650612 373.120052475289, 1104.969406
373.123135893739, 114.884567 373.126219350411, 0 374.099954018703, 0 374.103049585187, 23.155923
374.106145190094, 74.171937 374.109240833425, 152.924335 374.112336515179, 306.044579
374.115432235358, 477.322531 374.118527993963, 487.883568 374.121623790993, 302.301788
374.12471962645, 122.354078 374.127815500334, 0 376.992994449487, 0 376.996126025597, 58.226812
376.999257640727, 88.465142 377.002389294877, 112.469721 377.005520988049, 114.86547
377.008652720242, 90.922183 377.011784491458, 52.644926 377.014918851381, 0
386.377693024364, 0 386.380942259538, 53.630561 386.3841915357, 85.366559
386.387440852848, 100.730526 386.390690210985, 90.30937 386.393939610111, 62.006587
386.397186908257, 0 403.355237186677, 0 403.358702916372, 43.60244 403.362168690735, 76.922178
403.365634509767, 92.227501 403.369100373468, 78.254145 403.372566281839, 46.704414
403.376032234881, 0 
##END=$$ End of the data block
