MassBank Record: KO000146



 N-Acetylhistidine; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000146
RECORD_TITLE: N-Acetylhistidine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 196 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03e9-9800000000-ce7841316d459447ede0 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 40.200 29703.0 3 41.800 168317.0 17 58.100 1455447.0 151 59.200 183168.5 19 66.100 54455.5 6 67.200 232673.5 24 69.800 49505.0 5 71.900 193069.5 20 73.900 168317.0 17 80.200 2920795.0 302 81.200 4455450.0 461 93.000 1772279.0 183 97.900 277228.0 29 106.900 148515.0 15 108.300 301980.5 31 108.700 19802.0 2 110.200 9653475.0 999 118.000 89109.0 9 136.100 94059.5 10 137.200 356436.0 37 154.200 282178.5 29 //