MassBank Record: KO002786



 Na,Na-Dimethylhistidine; 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: KO002786
RECORD_TITLE: Na,Na-Dimethylhistidine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 184 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-5b79305218cda989d86a PK$NUM_PEAK: 46 PK$PEAK: m/z int. rel.int. 57.400 59406.0 1 58.000 133663.5 1 66.600 34653.5 1 76.100 148515.0 1 78.100 59406.0 1 80.200 54455.5 1 82.100 24752.5 1 82.400 14851.5 1 86.100 24752.5 1 93.200 212871.5 1 95.000 301980.5 2 95.800 29703.0 1 97.800 29703.0 1 102.100 267327.0 2 104.200 29703.0 1 105.000 99010.0 1 106.100 39604.0 1 107.300 128713.0 1 108.900 34653.5 1 112.400 19802.0 1 114.100 64356.5 1 115.900 128713.0 1 116.600 29703.0 1 118.500 29703.0 1 119.800 54455.5 1 120.200 39604.0 1 122.300 1242575.5 9 123.400 178218.0 1 124.500 217822.0 2 125.300 29703.0 1 129.800 44554.5 1 131.100 143564.5 1 133.900 138614.0 1 135.200 940595.0 7 137.000 39604.0 1 138.300 7509908.5 53 140.100 891090.0 6 148.100 64356.5 1 149.100 346535.0 2 150.500 34653.5 1 152.100 742575.0 5 153.900 9901.0 1 166.000 138614.0 1 167.300 4485153.0 32 183.700 1074258.5 8 184.200 141856577.5 999 //