MassBank Record: KO002218



 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: KO002218
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 198 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-8562a3760bc6c3c4c067 PK$NUM_PEAK: 49 PK$PEAK: m/z int. rel.int. 54.300 2257428.0 9 55.900 14851.5 1 71.000 34653.5 1 71.800 1376239.0 5 73.200 34653.5 1 76.000 79208.0 1 78.200 668317.5 3 79.900 103960.5 1 80.800 34653.5 1 84.800 24752.5 1 89.900 49505.0 1 93.800 29703.0 1 95.300 79208.0 1 97.800 54455.5 1 101.800 74257.5 1 105.100 698020.5 3 106.000 381188.5 1 107.300 29703.0 1 108.300 54455.5 1 110.100 5856441.5 23 112.100 39604.0 1 113.100 44554.5 1 115.700 29703.0 1 116.900 64356.5 1 119.300 39604.0 1 121.200 188119.0 1 122.200 554456.0 2 123.100 113861.5 1 124.200 59406.0 1 130.100 69307.0 1 130.800 599010.5 2 134.100 247525.0 1 135.400 34653.5 1 138.100 886139.5 3 139.400 14851.5 1 144.100 94059.5 1 148.100 1237625.0 5 149.100 688119.5 3 151.300 29703.0 1 152.100 5529708.5 21 153.100 232673.5 1 156.100 3594063.0 14 162.100 79208.0 1 163.300 504951.0 2 166.300 1846536.5 7 180.100 8816840.5 34 181.300 3311884.5 13 198.100 259975507.5 999 235.900 19802.0 1 //