MassBank Record: KO003131



 Histamine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003131
RECORD_TITLE: Histamine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 112 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-015a-9000000000-f51ad8a8259595600938 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 11.100 24752.5 2 39.100 173267.5 16 40.900 2985151.5 267 42.100 371287.5 33 54.200 1099011.0 98 55.400 405941.0 36 56.200 648515.5 58 62.300 24752.5 2 67.000 1900992.0 170 68.200 11163377.5 999 68.800 133663.5 12 78.000 257426.0 23 80.200 113861.5 10 81.100 3331686.5 298 82.300 2425745.0 217 83.300 1905942.5 171 86.500 24752.5 2 92.700 29703.0 3 95.200 6851492.0 613 //