MassBank Record: KO000143



 N-Acetylhistidine; 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: KO000143
RECORD_TITLE: N-Acetylhistidine; 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 A073

CH$NAME: N-Acetylhistidine CH$NAME: N-Acetyl-L-histidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H11N3O3 CH$EXACT_MASS: 197.08004 CH$SMILES: CC(=O)N[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1 CH$LINK: CAS 2497-02-1 CH$LINK: CHEBI 16437 CH$LINK: KEGG C02997 CH$LINK: NIKKAJI J125.811G CH$LINK: PUBCHEM SID:5906
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-0900000000-e5c6a1cbe1016469a37c PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 74.500 9901.0 1 110.500 445545.0 7 113.800 89109.0 1 133.900 504951.0 8 135.800 69307.0 1 136.900 19802.0 1 151.900 198020.0 3 154.200 1400991.5 21 178.500 287129.0 4 196.200 66891156.0 999 //