MassBank Record: KO001434



 N-Methylglutamic acid; 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: KO001434
RECORD_TITLE: N-Methylglutamic acid; 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 M067

CH$NAME: N-Methylglutamate CH$NAME: N-Methyl-L-glutamate CH$NAME: N-Methyl-L-glutamic acid CH$NAME: N-Methylglutamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H11NO4 CH$EXACT_MASS: 161.06881 CH$SMILES: CN[C@@H](CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1 CH$LINK: CHEBI 16440 CH$LINK: KEGG C01046 CH$LINK: PUBCHEM SID:4288
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-014i-1900000000-51948d38ac6cd62f280a PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 45.300 39604.0 18 59.000 99010.0 45 70.200 84158.5 38 70.400 24752.5 11 71.500 59406.0 27 85.000 89109.0 40 87.900 44554.5 20 95.700 44554.5 20 98.100 113861.5 51 100.800 49505.0 22 113.900 64356.5 29 116.100 2212873.5 999 142.000 589109.5 266 //