MassBank Record: KO002787



 Na,Na-Dimethylhistidine; 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: KO002787
RECORD_TITLE: Na,Na-Dimethylhistidine; LC-ESI-QQ; MS2; CE:20 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 D131

CH$NAME: Na,Na-Dimethylhistidine CH$NAME: Nalpha,Nalpha-Dimethyl-L-histidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H13N3O2 CH$EXACT_MASS: 183.10078 CH$SMILES: CN(C)[C@@H](CC1=CN=CN1)C(=O)O CH$IUPAC: InChI=1S/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)/t7-/m0/s1 CH$LINK: CHEBI 16029 CH$LINK: KEGG C04259 CH$LINK: PUBCHEM SID:6924
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 184 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-1900000000-6ac77c2f4c147b2f8178 PK$NUM_PEAK: 43 PK$PEAK: m/z int. rel.int. 40.200 39604.0 1 43.200 9901.0 1 54.700 14851.5 1 58.100 5178223.0 94 66.100 49505.0 1 68.400 29703.0 1 71.400 19802.0 1 72.000 24752.5 1 73.100 282178.5 5 76.000 138614.0 3 77.800 64356.5 1 80.100 19802.0 1 82.100 89109.0 2 83.000 371287.5 7 88.900 143564.5 3 95.000 7237631.0 131 97.200 133663.5 2 98.800 14851.5 1 101.900 3475251.0 63 104.900 886139.5 16 106.100 153465.5 3 107.000 272277.5 5 108.800 34653.5 1 109.100 54455.5 1 110.900 103960.5 2 117.100 113861.5 2 120.000 19802.0 1 121.200 113861.5 2 122.300 212871.5 4 123.200 554456.0 10 124.300 34653.5 1 127.900 14851.5 1 131.200 103960.5 2 135.300 316832.0 6 135.900 29703.0 1 138.300 55113916.5 999 139.200 212871.5 4 140.100 1480199.5 27 147.800 29703.0 1 149.000 287129.0 5 166.200 49505.0 1 167.200 1648516.5 30 184.100 10415852.0 189 //