MassBank Record: KO001021



 Harmaline; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001021
RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:40 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID H027

CH$NAME: Harmaline CH$COMPOUND_CLASS: N/A CH$FORMULA: C13H14N2O CH$EXACT_MASS: 214.11061 CH$SMILES: COc(c3)cc(=N1)c(c3)=C(C2)C(=C(C)NC2)1 CH$IUPAC: InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 CH$LINK: CAS 304-21-2 CH$LINK: KEGG C06536 CH$LINK: NIKKAJI J11.607F CH$LINK: PUBCHEM SID:8766
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 213 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-3b1d1c7411b70c684403 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 59.100 24752.5 7 64.200 24752.5 7 64.900 29703.0 9 77.200 24752.5 7 88.000 24752.5 7 91.800 49505.0 15 93.400 24752.5 7 107.100 14851.5 4 139.400 14851.5 4 141.000 24752.5 7 147.900 64356.5 19 156.900 79208.0 24 169.900 133663.5 40 182.000 99010.0 30 182.600 39604.0 12 197.300 3331686.5 999 198.200 529703.5 159 //