MassBank Record: KO003470



 L-3-Methylhistidine; 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: KO003470
RECORD_TITLE: L-3-Methylhistidine; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 170 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-9000000000-2ed34e7b458d9f8c092f PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 40.700 173267.5 6 42.100 207921.0 8 43.300 34653.5 1 44.100 54455.5 2 54.100 400990.5 15 55.200 910892.0 33 56.200 529703.5 19 58.800 14851.5 1 65.300 123762.5 4 65.800 79208.0 3 67.300 905941.5 33 67.900 5163371.5 187 69.300 212871.5 8 69.900 331683.5 12 71.800 34653.5 1 74.200 24752.5 1 77.300 84158.5 3 78.800 79208.0 3 79.800 272277.5 10 81.000 3158419.0 114 82.400 554456.0 20 83.200 1801982.0 65 91.100 79208.0 3 91.800 54455.5 2 93.000 232673.5 8 95.000 27608938.5 999 96.000 25227748.0 913 97.000 2599012.5 94 105.100 14851.5 1 107.000 574258.0 21 109.200 2831686.0 102 111.300 34653.5 1 112.100 9901.0 1 124.100 79208.0 3 124.900 430693.5 16 135.200 69307.0 3 141.100 49505.0 2 //