MassBank Record: NGA01514



 Yohimbic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: NGA01514
RECORD_TITLE: Yohimbic acid; LC-ESI-QQQ; MS2; Frag=135.0V CID@10.0; [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: 340.42588 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: PUBCHEM CID:65106 CH$LINK: INCHIKEY AADVZSXPNRLYLV-COAIYVANSA-N
AC$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$SPLASH: splash10-0006-0009000000-3662baeb54a9325f7efe PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 143.7 2.02 2 143.8 3.29 3 143.9 4.72 4 144.0 5.82 5 144.1 6.26 6 144.2 6.08 6 144.3 5.41 5 144.4 4.25 4 144.5 2.65 2 340.4 1.36 1 340.5 3.8 3 340.6 7.44 7 340.7 13.18 13 340.8 24.1 24 340.9 42.83 42 341.0 66.89 66 341.1 88.48 88 341.2 100.0 99 341.3 98.05 97 341.4 82.34 82 341.5 55.7 55 341.6 26.36 26 341.7 5.01 5 341.8 0.0 0 //