ACCESSION: MSBNK-RIKEN_NPDepo-CB000235
RECORD_TITLE: osthol; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Coumarins
CH$NAME: osthol
CH$COMPOUND_CLASS: Benzopyranoids
CH$FORMULA: C15H16O3
CH$EXACT_MASS: 244.293
CH$SMILES: COc1ccc2ccc(=O)oc2c1CC=C(C)C
CH$IUPAC: InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3
CH$LINK: CAS
484-12-8
CH$LINK: CHEMSPIDER
9811
CH$LINK: INCHIKEY
MBRLOUHOWLUMFF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20197507
CH$LINK: PUBCHEM
CID:10228
AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0950000000-a90b8f03aad52e70c08d
PK$NUM_PEAK: 138
PK$PEAK: m/z int. rel.int.
102.6000 364803.8125 26
102.7000 421974.5625 31
102.8000 406029.0313 29
102.9000 428586.1250 31
103.0000 372776.5938 27
103.1000 418668.7500 30
105.4000 301604.8750 21
130.4000 1803017.6250 136
130.5000 3517751.0000 266
130.6000 4897433.0000 371
130.7000 4302974.0000 326
130.8000 4829372.5000 366
130.9000 5127673.0000 389
131.0000 4851346.5000 368
131.1000 4678278.5000 355
131.2000 4545074.0000 344
131.3000 3885666.0000 294
131.4000 3896751.0000 295
131.5000 1771126.5000 133
131.6000 907342.5625 68
131.7000 810502.3125 60
131.8000 830337.0000 62
131.9000 813224.7500 60
132.0000 838309.8125 62
132.1000 906953.6875 68
132.2000 1180361.8750 88
132.3000 634906.4375 47
132.4000 661352.6875 49
132.5000 415557.4063 30
132.7000 301021.5000 21
132.8000 380360.5000 27
132.9000 346330.2500 25
158.4000 448615.3438 33
158.5000 881868.5000 66
158.6000 1159166.1250 87
158.7000 827225.6875 61
158.8000 2674579.7500 202
158.9000 3172393.5000 240
159.0000 493729.7188 36
159.1000 496646.5938 36
159.2000 582208.2500 43
159.3000 418474.3438 30
159.4000 383471.8438 28
160.4000 500341.3125 37
160.5000 871173.3125 65
160.6000 622850.0625 46
160.7000 1778321.1250 134
160.8000 868450.8750 65
160.9000 442587.1250 32
161.0000 877784.9375 65
161.1000 352358.5000 25
161.2000 411084.9688 30
161.3000 364803.8125 26
161.4000 366748.4063 26
188.1000 322411.8750 23
188.2000 995821.1250 74
188.3000 6286448.0000 477
188.4000 11103571.0000 843
188.5000 12198564.0000 927
188.6000 12596040.0000 957
188.7000 12898031.0000 980
188.8000 13140522.0000 999
188.9000 13127106.0000 997
189.0000 12491616.0000 949
189.1000 12683350.0000 964
189.2000 12410914.0000 943
189.3000 11587771.0000 880
189.4000 10148975.0000 771
189.5000 6296366.5000 478
189.6000 4301029.5000 326
189.7000 3705987.2500 281
189.8000 4175020.2500 316
189.9000 4227134.5000 320
190.0000 3846969.0000 291
190.1000 4111043.7500 311
190.2000 3603507.2500 273
190.3000 3278762.0000 248
190.4000 3072247.5000 232
190.5000 977736.5000 73
190.6000 670297.7500 50
190.7000 620322.0625 46
190.8000 566651.5625 42
190.9000 516092.3438 38
191.0000 479728.6875 35
191.1000 498007.7500 36
191.2000 336412.9375 24
191.3000 364414.9063 26
191.4000 416529.7813 30
202.6000 389111.1250 28
202.7000 335246.1563 24
202.8000 415362.9688 30
202.9000 383471.8438 28
203.0000 385027.4688 28
203.1000 403695.5000 29
203.2000 343996.7813 25
203.3000 314828.0313 22
203.4000 337579.6250 24
218.6000 315994.7188 23
218.7000 407584.6563 30
218.8000 381332.8438 28
218.9000 488090.4063 36
219.0000 408168.0313 30
219.1000 432475.3125 31
219.2000 376860.1875 27
219.3000 392611.4063 28
244.2000 539038.5000 40
244.3000 1088577.8750 81
244.4000 5202342.5000 394
244.5000 8517274.0000 647
244.6000 9793503.0000 744
244.7000 9615185.0000 730
244.8000 9709693.0000 737
244.9000 9710083.0000 737
245.0000 9831035.0000 747
245.1000 10508139.0000 798
245.2000 9537403.0000 724
245.3000 9538763.0000 724
245.4000 9312803.0000 707
245.5000 6235307.0000 473
245.6000 4096070.0000 310
245.7000 3359851.2500 254
245.8000 3583089.2500 271
245.9000 3784547.7500 287
246.0000 3812550.5000 289
246.1000 3252509.7500 246
246.2000 3209534.5000 243
246.3000 3384158.2500 256
246.4000 3101221.7500 235
246.5000 1670785.8750 126
246.6000 662130.6875 49
246.7000 586486.2500 43
246.8000 549344.8125 40
246.9000 512786.6250 38
247.0000 566262.6875 42
247.1000 487895.9688 36
247.2000 528732.1250 39
247.3000 373554.4375 27
247.4000 314050.2188 22
//