MassBank Record: KO001019



 Harmaline; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001019
RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 213 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-01ot-0950000000-074166129de965eece15 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 87.800 49505.0 8 89.100 19802.0 3 110.200 14851.5 3 126.100 14851.5 3 130.100 108911.0 19 131.000 188119.0 32 147.900 74257.5 13 169.100 14851.5 3 180.300 287129.0 49 197.300 69307.0 12 198.400 5846540.5 999 213.200 3940598.0 673 //