MassBank Record: KO000477



 N-Carbamylglutamic 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: KO000477
RECORD_TITLE: N-Carbamylglutamic 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 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-002b-0900000000-eb1fe6fcbdc6f376370e PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 44.800 108911.0 19 59.100 633664.0 108 82.900 19802.0 3 102.200 1128714.0 192 127.400 153465.5 26 128.000 2064358.5 351 129.000 1455447.0 247 131.000 163366.5 28 143.400 257426.0 44 146.200 5881194.0 999 156.900 29703.0 5 172.100 19802.0 3 189.400 84158.5 14 //