MassBank Record: KO000163



 Nw-Acetylhistamine; 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: KO000163
RECORD_TITLE: Nw-Acetylhistamine; 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 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-4900000000-57a127cb56f0680d010c PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 42.000 539604.5 8 58.200 6475254.0 94 58.900 34653.5 1 66.800 14851.5 1 78.700 133663.5 2 80.200 9950505.0 144 81.100 20163386.5 292 93.000 920793.0 13 95.400 44554.5 1 107.800 292079.5 4 110.100 68901059.0 999 121.700 29703.0 1 137.300 34653.5 1 //