MassBank Record: KO002085



 N-Acetyl-L-glutamic 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: KO002085
RECORD_TITLE: N-Acetyl-L-glutamic 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 A031

CH$NAME: N-Acetylglutamate CH$NAME: N-Acetyl-L-glutamate CH$NAME: N-Acetyl-L-glutamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H11NO5 CH$EXACT_MASS: 189.06372 CH$SMILES: CC(=O)NC(CCC(O)=O)C(O)=O CH$IUPAC: InChI=1S/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1 CH$LINK: CAS 1188-37-0 CH$LINK: CHEBI 17533 CH$LINK: CHEMPDB NLG CH$LINK: KEGG C00624 CH$LINK: NIKKAJI J37.497K CH$LINK: PUBCHEM SID:3897
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 190 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9300000000-b379a6e4d794e810c478 PK$NUM_PEAK: 19 PK$PEAK: m/z int. rel.int. 42.900 227723.0 20 56.000 118812.0 10 67.100 84158.5 7 68.800 49505.0 4 71.100 39604.0 3 81.300 39604.0 3 83.400 59406.0 5 84.100 11594071.0 999 84.900 198020.0 17 95.400 123762.5 11 97.900 34653.5 3 101.800 2089111.0 180 109.200 64356.5 6 119.400 19802.0 2 119.800 9901.0 1 130.100 2361388.5 203 137.000 14851.5 1 148.200 89109.0 8 190.100 44554.5 4 //