MassBank Record: KO000147



 N-Acetylhistidine; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000147
RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-9100000000-21c39075da702aeea0b8 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 39.900 64356.5 23 42.000 336634.0 121 52.100 29703.0 11 53.800 9901.0 4 58.200 965347.5 347 59.100 69307.0 25 67.400 188119.0 68 72.300 79208.0 28 74.100 113861.5 41 80.200 2777230.5 999 81.200 2326735.0 837 93.000 584159.0 210 97.800 49505.0 18 107.700 59406.0 21 110.000 1341585.5 483 136.900 69307.0 25 //