MassBank Record: KO003130



 Histamine; 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: KO003130
RECORD_TITLE: Histamine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9000000000-e9e368926d3146437e13 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 41.000 1400991.5 23 54.200 277228.0 5 54.900 113861.5 2 55.900 321782.5 5 67.100 1777229.5 29 68.000 25876263.5 429 69.100 79208.0 1 78.000 490099.5 8 80.300 133663.5 2 81.000 886139.5 15 82.200 3435647.0 57 83.100 8069315.0 134 86.200 138614.0 2 93.200 54455.5 1 95.100 60207981.0 999 96.000 69307.0 1 112.300 485149.0 8 349.800 9901.0 1 //