MassBank Record: KO000145



 N-Acetylhistidine; 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: KO000145
RECORD_TITLE: N-Acetylhistidine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-2900000000-802c406d48248e17d249 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 58.400 846535.5 30 59.300 396040.0 14 66.600 29703.0 1 67.300 222772.5 8 70.100 29703.0 1 72.000 103960.5 4 73.800 103960.5 4 80.100 896040.5 32 81.200 3272280.5 115 83.600 14851.5 1 93.000 1732675.0 61 98.000 836634.5 29 106.900 301980.5 11 108.100 366337.0 13 109.400 202970.5 7 110.100 28415870.0 999 117.900 103960.5 4 118.600 49505.0 2 134.200 658416.5 23 136.000 534654.0 19 137.200 1584160.0 56 154.100 3613865.0 127 178.000 34653.5 1 196.100 128713.0 5 //