MassBank Record: KO000056



 N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000056
RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:50 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0pb9-9100000000-0d780e23d772cf133da2 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 41.000 267327.0 344 42.000 242574.5 312 52.000 84158.5 108 54.200 405941.0 522 56.200 64356.5 83 58.300 509901.5 655 59.100 777228.5 999 70.300 19802.0 25 74.100 257426.0 331 84.100 99010.0 127 97.900 14851.5 19 102.100 485149.0 624 //