MassBank Record: KO000165



 Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000165
RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:50 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 A093

CH$NAME: Nw-Acetylhistamine CH$NAME: 4-(beta-Acetylaminoethyl)imidazole CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H11N3O CH$EXACT_MASS: 153.09021 CH$SMILES: CC(=O)NCCC1=CN=CN1 CH$IUPAC: InChI=1S/C7H11N3O/c1-6(11)9-3-2-7-4-8-5-10-7/h4-5H,2-3H2,1H3,(H,8,10)(H,9,11) CH$LINK: KEGG C05135 CH$LINK: PUBCHEM SID:7555
AC$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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9000000000-e259ccc99fabcad89477 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 40.300 504951.0 174 42.100 1712873.0 592 45.400 14851.5 5 52.000 94059.5 33 54.200 64356.5 22 58.200 1608912.5 556 65.900 54455.5 19 67.200 64356.5 22 79.100 74257.5 26 80.100 2891092.0 999 81.100 1950497.0 674 92.800 94059.5 33 110.500 366337.0 127 //