MassBank Record: KO002235



 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: KO002235
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 154 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9000000000-2ac0af2751c6c863cf8b PK$NUM_PEAK: 26 PK$PEAK: m/z int. rel.int. 40.800 118812.0 1 43.100 3514855.0 12 45.000 128713.0 1 59.600 44554.5 1 60.300 168317.0 1 66.900 371287.5 1 68.000 11420803.5 39 70.800 34653.5 1 72.600 29703.0 1 78.100 198020.0 1 78.900 29703.0 1 80.900 103960.5 1 82.100 470297.5 2 83.100 15024767.5 52 86.400 99010.0 1 91.200 425743.0 1 93.000 69307.0 1 94.100 128713.0 1 95.100 289861676.0 999 97.800 39604.0 1 109.200 118812.0 1 112.300 27846562.5 96 119.300 252475.5 1 136.000 1059407.0 4 137.000 59406.0 1 154.300 371287.5 1 //