MassBank Record: NGA01513



 Yohimbic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01513
RECORD_TITLE: Yohimbic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@5.0; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa TCSRS, RIKEN, Okano ACSRS, RIKEN, CSRS, RIKEN
LICENSE: BY-CC
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Monoterpenoid indole alkaloids, Yohimbinoid alkaloids, Indole alkaloids

CH$NAME: Yohimbic acid CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C20H24N2O3 CH$EXACT_MASS: 340.4259 CH$SMILES: O=C(O)[C@H]1[C@@H](O)CCC2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 CH$IUPAC: InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11?,14-,16-,17-,18+/m0/s1 CH$LINK: CAS 522-87-2];[207801-27-2 CH$LINK: CHEMSPIDER 65106 CH$LINK: INCHIKEY AADVZSXPNRLYLV-COAIYVANSA-N CH$LINK: PUBCHEM CID:44657667
AC$INSTRUMENT: Agilent 6410 Triple Quadrupole LC/MS system AC$INSTRUMENT_TYPE: LC-ESI-QQQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-0009000000-1a4eacd6c41d2ee0f018 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 340.4 1.39 1 340.5 3.6 3 340.6 7.27 7 340.7 13.54 13 340.8 24.93 24 340.9 43.07 43 341.0 65.44 65 341.1 85.94 85 341.2 98.74 98 341.3 100.0 99 341.4 86.98 86 341.5 60.6 60 341.6 29.42 29 341.7 5.91 5 341.8 0.0 0 //

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