MassBank Record: KO000479



 N-Carbamylglutamic 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: KO000479
RECORD_TITLE: N-Carbamylglutamic 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 C078

CH$NAME: N-Carbamylglutamate CH$NAME: N-Carbamyl-L-glutamate CH$NAME: N-Carbamylglutamic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H10N2O5 CH$EXACT_MASS: 190.05897 CH$SMILES: OC(=O)CC[C@H](NC(N)=O)C(O)=O CH$IUPAC: InChI=1S/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)/t3-/m0/s1 CH$LINK: KEGG C05829 CH$LINK: PUBCHEM SID:8123
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 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-4900000000-3a5f21eb40fd1821e24f PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 41.800 39604.0 64 59.000 237624.0 384 73.600 29703.0 48 83.100 19802.0 32 84.700 49505.0 80 102.200 618812.5 999 128.000 74257.5 120 128.400 64356.5 104 145.900 9901.0 16 //