MassBank Record: MSBNK-Keio_Univ-KO003098
ACCESSION: MSBNK-Keio_Univ-KO003098
RECORD_TITLE: Harmaline; LC-ESI-QQ; MS2; CE:10 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
CH$LINK: INCHIKEY
QJOZJXNKVMFAET-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 215
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0090000000-36bdcdf05e60ec5282e9
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
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//
system version 2.2.8-SNAPSHOT