MassBank Record: KO000164



 Nw-Acetylhistamine; 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: KO000164
RECORD_TITLE: Nw-Acetylhistamine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9200000000-0b6fc56d8ae42e3e9d68 PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 39.900 227723.0 23 41.900 1608912.5 159 52.100 74257.5 7 54.300 108911.0 11 58.200 3975251.5 393 65.800 24752.5 2 67.000 39604.0 4 78.900 183168.5 18 80.100 10108921.0 999 81.300 8950504.0 885 92.800 371287.5 37 107.800 64356.5 6 108.400 89109.0 9 110.100 7311888.5 723 //