MassBank Record: KO002236



 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: KO002236
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9000000000-8063da1e33f922c07a87 PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 40.900 1371288.5 12 43.000 5232678.5 44 45.300 99010.0 1 54.200 247525.0 2 56.100 336634.0 3 60.100 133663.5 1 66.600 143564.5 1 67.000 1866338.5 16 68.000 38089147.0 321 69.000 133663.5 1 76.800 89109.0 1 77.900 623763.0 5 81.100 628713.5 5 82.200 1787130.5 15 83.100 12772290.0 108 85.900 138614.0 1 91.100 301980.5 3 92.300 64356.5 1 93.300 89109.0 1 95.100 118391207.5 999 95.800 44554.5 1 109.000 39604.0 1 110.100 54455.5 1 112.300 1386140.0 12 119.000 148515.0 1 135.700 39604.0 1 //