MassBank Record: KO001020



 Harmaline; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001020
RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 213 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-b1d0cde481f6da0f78db PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 58.200 74257.5 19 58.700 49505.0 12 88.200 34653.5 9 89.300 69307.0 17 92.700 54455.5 14 96.800 19802.0 5 98.800 19802.0 5 130.800 79208.0 20 135.300 14851.5 4 138.800 14851.5 4 148.100 301980.5 76 156.800 29703.0 7 171.200 29703.0 7 179.700 19802.0 5 183.100 44554.5 11 197.200 1965348.5 495 198.400 3965350.5 999 213.400 143564.5 36 //