MassBank Record: KO000162



 Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000162
RECORD_TITLE: Nw-Acetylhistamine; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 152 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-0900000000-835331e6a6b0dc9ff0bb PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 58.200 2103962.5 10 60.200 29703.0 1 66.900 14851.5 1 79.900 970298.0 5 81.300 6524759.0 33 93.300 1628714.5 8 94.200 19802.0 1 107.300 14851.5 1 108.000 29703.0 1 109.200 183168.5 1 110.100 200356636.0 999 122.300 64356.5 1 135.900 39604.0 1 136.100 14851.5 1 137.100 103960.5 1 152.200 10688129.5 53 //