MassBank Record: KO000053



 N-Acetyl-L-glutamic 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: KO000053
RECORD_TITLE: N-Acetyl-L-glutamic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0fb9-0900000000-5423b76f7eb4b2a17fac PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 54.300 59406.0 2 56.200 94059.5 4 58.000 549505.5 22 59.200 2554458.0 104 72.800 44554.5 2 74.200 99010.0 4 82.100 54455.5 2 84.300 490099.5 20 85.200 163366.5 7 97.900 158416.0 6 100.000 6242580.5 253 100.800 44554.5 2 102.100 19856455.5 806 115.900 44554.5 2 126.200 2475250.0 100 126.800 29703.0 1 128.100 24613886.0 999 144.200 9108920.0 370 146.100 2470299.5 100 155.400 143564.5 6 170.300 5237629.0 213 188.300 6173273.5 251 //