MassBank Record: KO000055



 N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:40 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000055
RECORD_TITLE: N-Acetyl-L-glutamic acid; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 188 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0zfr-9700000000-85acd9611312dd7df0db PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 40.900 173267.5 43 41.900 138614.0 34 54.400 747525.5 186 56.200 123762.5 31 57.200 49505.0 12 58.200 841585.0 209 59.100 2128715.0 529 70.300 44554.5 11 71.400 29703.0 7 74.300 252475.5 63 82.400 79208.0 20 84.200 272277.5 68 85.000 39604.0 10 85.800 9901.0 2 98.200 178218.0 44 98.500 44554.5 11 99.900 277228.0 69 100.600 14851.5 4 102.300 4019806.0 999 127.900 613862.0 153 //