MassBank Record: KO003468



 L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003468
RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M076

CH$NAME: L-3-Methylhistidine CH$NAME: 1-Methylhistidine CH$NAME: N(pi)-Methyl-L-histidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H11N3O2 CH$EXACT_MASS: 169.08513 CH$SMILES: OC(=O)[C@@H](N)Cc(c1)n(C)cn1 CH$IUPAC: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1 CH$LINK: KEGG C01152 CH$LINK: PUBCHEM SID:4381 CH$LINK: INCHIKEY JDHILDINMRGULE-LURJTMIESA-N
AC$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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0592-4900000000-ee1bce969d650e9fcfbe PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 40.200 24752.5 1 56.900 14851.5 1 68.000 287129.0 7 69.100 69307.0 2 69.800 39604.0 1 70.200 29703.0 1 73.200 59406.0 1 78.700 24752.5 1 80.000 94059.5 2 80.800 49505.0 1 81.200 54455.5 1 82.300 173267.5 4 83.300 1861388.0 44 85.200 896040.5 21 88.900 9901.0 1 90.800 123762.5 3 92.200 39604.0 1 93.000 198020.0 5 94.900 1118813.0 27 96.000 33544588.0 796 97.000 8876246.5 211 99.400 24752.5 1 107.000 495050.0 12 109.300 40113901.5 952 109.800 14851.5 1 110.500 49505.0 1 120.800 188119.0 4 124.300 118812.0 3 125.100 2856438.5 68 126.200 12930706.0 307 134.000 29703.0 1 135.300 198020.0 5 139.100 19802.0 1 141.000 99010.0 2 152.000 193069.5 5 153.200 2618814.5 62 170.300 42104002.5 999 //