ACCESSION: MSBNK-RIKEN_NPDepo-CB000126
RECORD_TITLE: Vincanidine; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: Formula(Parent): C19H20N2O2
COMMENT: Bottle Name:Vincanidine
COMMENT: PRIME Parent Name:Vincanidine
COMMENT: PRIME in-house No.:V0312
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Aspidosperma alkaloids, Indole alkaloids
CH$NAME: (11S,17S)-12-ethylidene-6-hydroxy-8,14-diazapentacyclo(9.5.2.0(1,9).0(2,7).0(14,17))octadeca-2(7),3,5,9-tetraene-10-carbaldehyde
CH$NAME: Vincanidine
CH$COMPOUND_CLASS: Alkaloids
CH$FORMULA: C19H20N2O2
CH$EXACT_MASS: 308.3835
CH$SMILES: C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1c(O)cccc14
CH$IUPAC: InChI=1S/C19H20N2O2/c1-2-11-9-21-7-6-19-14-4-3-5-15(23)17(14)20-18(19)13(10-22)12(11)8-16(19)21/h2-5,10,12,16,20,23H,6-9H2,1H3/b11-2-/t12-,16-,19+/m0/s1
CH$LINK: CAS
1630-41-7
CH$LINK: INCHIKEY
JDOFCMASVRMYJU-JYTRXFNOSA-N
CH$LINK: PUBCHEM
CID:11870645
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: splash10-0a4i-0029000000-27e3d608587b254264bb
PK$NUM_PEAK: 208
PK$PEAK: m/z int. rel.int.
183.5000 286874.6563 21
183.6000 348420.7500 26
183.7000 405883.1875 30
183.8000 382548.1875 29
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184.0000 352796.0938 26
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201.5000 370297.3438 28
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202.0000 468450.0938 35
202.1000 402382.8750 30
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214.5000 282061.7813 21
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214.7000 408800.0625 31
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215.0000 465241.5625 35
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