MassBank Record: NGA03003



 harmine; 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: NGA03003
RECORD_TITLE: harmine; 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: Alkaloids derived from tryptophan, beta-Carboline alkaloids, Indole alkaloids

CH$NAME: harmine CH$COMPOUND_CLASS: Alkaloids CH$FORMULA: C13H12N2O CH$EXACT_MASS: 212.25339 CH$SMILES: COc1ccc2c(c1)[nH]c1c(C)nccc12 CH$IUPAC: InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3 CH$LINK: CAS 442-51-3 CH$LINK: PUBCHEM CID:4444445 CH$LINK: INCHIKEY BXNJHAXVSOCGBA-UHFFFAOYSA-N
AC$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$SPLASH: splash10-03di-0090000000-ab29258d41de48828999 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 197.6 1.39 1 197.7 2.51 2 197.8 4.0 3 197.9 5.56 5 198.0 6.75 6 198.1 7.25 7 198.2 7.05 7 198.3 6.17 6 198.4 4.59 4 198.5 2.57 2 212.3 0.98 0 212.4 3.38 3 212.5 8.31 8 212.6 16.86 16 212.7 30.0 29 212.8 47.97 47 212.9 68.76 68 213.0 87.45 87 213.1 98.73 98 213.2 100.0 99 213.3 90.76 90 213.4 70.93 70 213.5 43.46 43 213.6 16.99 16 213.7 1.39 1 //