MassBank Record: KO000054



 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: KO000054
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-2900000000-38410c884a2999611065 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 41.000 39604.0 2 43.000 9901.0 1 54.100 806931.5 47 56.300 495050.0 29 58.200 1480199.5 85 59.100 3455449.0 200 70.300 64356.5 4 70.900 29703.0 2 71.100 29703.0 2 74.100 391089.5 23 82.200 217822.0 13 83.200 14851.5 1 84.300 861387.0 50 85.500 79208.0 5 98.400 663367.0 38 100.200 3856439.5 223 102.000 17297047.0 999 109.700 14851.5 1 115.700 14851.5 1 120.500 14851.5 1 126.200 524753.0 30 128.000 6440600.5 372 144.300 480198.5 28 145.900 519802.5 30 188.200 39604.0 2 //