ACCESSION: MSBNK-RIKEN_NPDepo-CB000089
RECORD_TITLE: Stepharine; 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: Isoquinoline alkaloids, Aporphine alkaloids, Proaporphine alkaloids
CH$NAME: Stepharine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C18H19NO3
CH$EXACT_MASS: 297.357
CH$SMILES: COc1cc2c3c(c1OC)C1(C=CC(=O)C=C1)CC3NCC2
CH$IUPAC: InChI=1S/C18H19NO3/c1-21-14-9-11-5-8-19-13-10-18(6-3-12(20)4-7-18)16(15(11)13)17(14)22-2/h3-4,6-7,9,13,19H,5,8,10H2,1-2H3
CH$LINK: CAS
2810-21-1
CH$LINK: CHEMSPIDER
88910 168085
CH$LINK: INCHIKEY
OGJKMZVUJJYWKO-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:98455
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: splash10-0002-0290000000-d6e8fac6d2b7c591736d
PK$NUM_PEAK: 164
PK$PEAK: m/z int. rel.int.
159.8000 199330.0313 23
159.9000 185820.3125 21
160.2000 256070.9531 30
160.4000 274493.2813 32
160.5000 475051.5000 57
160.6000 418187.7500 50
160.7000 557829.3125 68
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161.0000 531301.1250 64
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161.2000 522212.7813 63
161.3000 510299.6563 62
161.4000 567286.1250 69
161.5000 394975.5938 47
189.5000 806654.2500 98
189.6000 456874.7813 55
189.7000 269212.2500 32
189.8000 310969.5938 37
189.9000 259386.9375 31
190.0000 186065.9375 22
190.1000 364271.6563 44
190.2000 253614.6563 30
190.6000 181644.5625 21
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191.3000 199452.8594 23
191.4000 594674.0625 72
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298.0000 8080910.5000 999
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338.8000 395712.4688 47
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339.0000 431820.3438 52
339.1000 577971.1875 70
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339.8000 180907.6719 21
339.9000 250667.0469 30
340.0000 215910.1719 25
340.1000 215173.2969 25
340.3000 216524.2656 25
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