##TITLE= C101H113N11O11S - resolution: 0.001
##JCAMP-DX= 5.00
##DATA TYPE= MASS SPECTRUM
##DATA CLASS= PEAK TABLE
##ORIGIN= Generated spectrum based on ChemCalc www.chemcalc.org
##SPECTROMETER/DATA SYSTEM= Based on ChemCalc isotopic distribution calculator
##XUNITS= M/Z
##YUNITS= RELATIVE ABUNDANCE
##NPOINTS= 121
##MAXY= 100
##MINY= 0
##$Unsaturation=51.0
##$Molecular weight=1689.113608
##$Resolution=0.001
##$Threshold=1.0E-5
##$Monoisotopic mass=1687.8341744942
##PEAK TABLE= (XY..XY)
1685.834, 0
1687.834, 91.19272
1688.831, 3.6647
1688.834, 0.72002
1688.838, 100
1688.84, 1.18519
1689.828, 0.06694
1689.83, 4.0801
1689.831, 0.02893
1689.835, 4.01863
1689.837, 0.83417
1689.838, 2.06442
1689.84, 0.00936
1689.841, 53.872
1689.842, 0.41742
1689.844, 1.29468
1689.845, 0.00497
1689.847, 0.00763
1690.827, 0.16396
1690.832, 0.07313
1690.833, 4.45706
1690.834, 0.0487
1690.835, 0.08284
1690.836, 0.05303
1690.838, 2.18119
1690.839, 0.01677
1690.84, 0.42535
1690.841, 0.05532
1690.842, 2.25186
1690.843, 0.01807
1690.844, 19.22794
1690.845, 0.25252
1690.847, 0.70015
1690.848, 0.00542
1690.85, 0.00834
1691.824, 0.003
1691.829, 0.0096
1691.83, 0.17911
1691.832, 0.00151
1691.833, 0.00213
1691.834, 0.09223
1691.835, 0.03955
1691.837, 2.42741
1691.838, 0.01868
1691.839, 0.09049
1691.84, 0.05793
1691.841, 0.79048
1691.842, 0.01015
1691.843, 0.02118
1691.844, 0.18173
1691.845, 1.21777
1691.846, 0.00858
1691.847, 0.00553
1691.848, 5.20496
1691.851, 0.25283
1691.853, 0.00451
1692.827, 0.00327
1692.831, 0.00371
1692.833, 0.01049
1692.834, 0.09686
1692.836, 0.00165
1692.837, 0.00233
1692.838, 0.11487
1692.84, 0.86149
1692.841, 0.0162
1692.842, 0.04894
1692.843, 0.03133
1692.845, 0.21878
1692.846, 0.02314
1692.847, 0.04023
1692.848, 0.44469
1692.849, 0.00464
1692.85, 0.00197
1692.851, 1.08491
1692.852, 0.02135
1692.854, 0.06622
1692.855, 0.00105
1692.857, 0.00161
1693.831, 0.00177
1693.835, 0.00405
1693.836, 0.00567
1693.837, 0.03457
1693.84, 0.00126
1693.841, 0.05449
1693.842, 0.00374
1693.843, 0.22796
1693.844, 0.00653
1693.846, 0.02865
1693.848, 0.04639
1693.849, 0.01251
1693.85, 0.00844
1693.851, 0.00266
1693.852, 0.11517
1693.853, 0.00166
1693.854, 0.18501
1693.855, 0.01013
1693.857, 0.01389
1694.838, 0.00219
1694.839, 0.00202
1694.84, 0.00916
1694.842, 0.00104
1694.844, 0.01945
1694.847, 0.04783
1694.849, 0.00463
1694.85, 0.00296
1694.851, 0.00743
1694.853, 0.00447
1694.854, 0.00146
1694.855, 0.02417
1694.858, 0.02865
1694.861, 0.0024
1695.844, 0.00192
1695.848, 0.00515
1695.85, 0.00828
1695.855, 0.00109
1695.856, 0.00118
1695.859, 0.00418
1695.861, 0.00345
1696.851, 0.00108
1696.853, 0.00122
1698.853, 0
##END=

