MassBank Record: KO002220



 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: KO002220
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 POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 198 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-1900000000-d4c9c8828dbed877da0f PK$NUM_PEAK: 50 PK$PEAK: m/z int. rel.int. 36.100 69307.0 1 43.100 430693.5 4 55.000 133663.5 1 56.800 29703.0 1 57.300 138614.0 1 59.800 29703.0 1 67.900 103960.5 1 68.200 108911.0 1 68.800 222772.5 2 71.000 49505.0 1 71.800 113861.5 1 73.200 89109.0 1 78.800 118812.0 1 81.100 420792.5 3 82.300 435644.0 4 83.200 4688123.5 38 84.000 14851.5 1 85.000 163366.5 1 86.200 118812.0 1 91.000 59406.0 1 93.000 3851489.0 31 95.000 7465354.0 61 97.100 321782.5 3 98.700 19802.0 1 102.500 64356.5 1 105.000 737624.5 6 107.200 138614.0 1 107.900 14851.5 1 110.200 122836756.5 999 111.100 252475.5 2 112.000 292079.5 2 113.200 356436.0 3 113.400 113861.5 1 116.900 29703.0 1 119.300 49505.0 1 121.300 232673.5 2 123.000 108911.0 1 123.500 59406.0 1 124.700 24752.5 1 133.900 836634.5 7 135.000 74257.5 1 137.900 94059.5 1 139.200 158416.0 1 144.700 24752.5 1 148.100 29703.0 1 152.300 2252477.5 18 156.000 6009907.0 49 162.900 44554.5 1 181.100 103960.5 1 198.400 856436.5 7 //