MassBank Record: KO002233



 Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002233
RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-0900000000-27c24608d70cabc3f3be PK$NUM_PEAK: 28 PK$PEAK: m/z int. rel.int. 50.000 1321783.5 2 61.300 34653.5 1 64.300 39604.0 1 66.500 19802.0 1 67.900 326733.0 1 76.000 39604.0 1 76.900 99010.0 1 78.100 59406.0 1 82.000 594060.0 1 83.300 113861.5 1 90.800 39604.0 1 92.000 24752.5 1 94.000 59406.0 1 95.000 20089129.0 34 98.200 49505.0 1 101.000 34653.5 1 104.900 54455.5 1 106.700 178218.0 1 107.300 123762.5 1 108.200 94059.5 1 109.600 39604.0 1 112.100 9217831.0 15 113.300 59406.0 1 119.200 1504952.0 3 122.100 138614.0 1 136.000 29128742.0 49 137.300 2054457.5 3 154.200 595916437.5 999 //