MassBank Record: KO003128



 Histamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003128
RECORD_TITLE: Histamine; 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 H058

CH$NAME: Histamine CH$NAME: 2-(4-Imidazolyl)ethylamine CH$NAME: 1H-Imidazole-4-ethanamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H9N3 CH$EXACT_MASS: 111.07965 CH$SMILES: C1=C(NC=N1)CCN CH$IUPAC: InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8) CH$LINK: CAS 51-45-6 CH$LINK: CHEBI 18295 CH$LINK: CHEMPDB HSM CH$LINK: KEGG C00388 CH$LINK: NIKKAJI J4.117C CH$LINK: PUBCHEM SID:3678
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 112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1900000000-6cda8885da689473fb42 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 40.200 34653.5 1 76.000 178218.0 1 78.100 69307.0 1 79.900 955446.5 3 83.100 1846536.5 6 94.200 64356.5 1 95.000 29594089.0 102 112.100 290896330.5 999 //