MassBank Record: KO002788



 Na,Na-Dimethylhistidine; 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: KO002788
RECORD_TITLE: Na,Na-Dimethylhistidine; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 184 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000b-9500000000-7d4e66e74d86c5a0f270 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 43.300 29703.0 1 44.200 34653.5 1 44.800 64356.5 2 46.000 84158.5 2 56.300 69307.0 2 58.100 8554464.0 246 66.300 44554.5 1 67.000 99010.0 3 68.200 1287130.0 37 68.900 34653.5 1 71.300 64356.5 2 72.400 69307.0 2 72.900 118812.0 3 76.800 54455.5 2 77.900 39604.0 1 80.100 39604.0 1 81.000 277228.0 8 82.000 1415843.0 41 83.300 717822.5 21 84.200 247525.0 7 85.900 29703.0 1 87.800 19802.0 1 90.800 24752.5 1 93.100 118812.0 3 95.100 34747559.5 999 95.800 262376.5 8 97.200 138614.0 4 98.600 9901.0 1 102.000 2965349.5 85 105.000 1039605.0 30 106.100 148515.0 4 106.800 188119.0 5 109.100 84158.5 2 111.100 470297.5 14 116.300 49505.0 1 121.200 232673.5 7 122.100 59406.0 2 123.100 3638617.5 105 127.800 9901.0 1 131.700 14851.5 1 133.000 49505.0 1 135.900 103960.5 3 138.300 18094077.5 520 148.200 29703.0 1 149.100 64356.5 2 151.500 108911.0 3 167.400 292079.5 8 184.100 89109.0 3 //