MassBank Record: KO001433



 N-Methylglutamic acid; 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: KO001433
RECORD_TITLE: N-Methylglutamic acid; 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 160 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kf-0900000000-4c41bb8d74f7aa140256 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 70.100 262376.5 15 71.000 34653.5 2 85.300 212871.5 12 87.900 69307.0 4 96.000 19802.0 1 98.100 415842.0 24 99.600 34653.5 2 100.800 138614.0 8 114.300 524753.0 30 116.200 15158431.0 859 141.900 17623780.0 999 160.000 2554458.0 145 //