ACCESSION: MSBNK-RIKEN_NPDepo-CB000006
RECORD_TITLE: Michepressine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Alkaloids derived from anthranilic acid, Quinoline alkaloids
CH$NAME: Michepressine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H20NO3+
CH$EXACT_MASS: 310.3762
CH$SMILES: C[N+]1(C)CCc2cc3c(c4c2C1Cc1ccc(O)cc1-4)OCO3
CH$IUPAC: InChI=1S/C19H19NO3/c1-20(2)6-5-12-8-16-19(23-10-22-16)18-14-9-13(21)4-3-11(14)7-15(20)17(12)18/h3-4,8-9,15H,5-7,10H2,1-2H3/p+1
CH$LINK: CAS
25454-85-7
CH$LINK: INCHIKEY
DQWPYNHMMBDKES-UHFFFAOYSA-O
CH$LINK: PUBCHEM
CID:3617300
AC$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]+
PK$SPLASH: splash10-08fr-0098000000-3ebc8bd97dfeb6be491c
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
113.6000 138720.4375 29
113.7000 165617.0625 35
113.8000 109428.8672 23
119.0000 349011.8125 76
119.1000 378763.9688 82
119.2000 492982.6250 108
119.3000 338603.2188 74
119.4000 303692.7188 66
119.5000 126285.3281 26
141.9000 105007.4922 22
142.0000 148207.9219 31
142.1000 169117.3594 36
142.2000 145260.3750 31
142.3000 137246.6875 29
142.4000 123614.0859 26
206.5000 168288.3438 36
206.6000 401699.7813 88
206.7000 408515.9688 89
206.8000 439005.0313 96
206.9000 436333.7500 95
207.0000 478705.2500 105
207.1000 510575.9688 112
207.2000 489113.8750 107
207.3000 422148.5938 92
207.4000 453558.7188 99
207.5000 184131.5625 39
207.9000 107218.1875 22
216.9000 106204.9453 22
217.2000 100033.4375 21
234.4000 220055.1875 47
234.5000 683377.8125 150
234.6000 1207402.1250 266
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234.8000 1718530.6250 379
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235.5000 473086.4375 103
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295.8000 177960.0938 38
295.9000 186987.0625 40
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311.4000 1240009.6250 273
311.5000 559026.7500 122
311.6000 328839.2813 71
311.7000 300008.2500 65
311.8000 233687.7344 50
311.9000 217844.5000 47
312.0000 209001.7500 45
312.1000 242530.5000 52
312.2000 268506.0000 58
312.3000 446281.9375 97
312.4000 147286.8438 31
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