MassBank Record: MSBNK-Keio_Univ-KO000476
ACCESSION: MSBNK-Keio_Univ-KO000476
RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:10 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
CH$LINK: INCHIKEY
LCQLHJZYVOQKHU-VKHMYHEASA-N
CH$LINK: COMPTOX
DTXSID7046706
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-000j-0900000000-b40c000081e1b7470cc1
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
45.200 64356.5 9
59.300 613862.0 86
125.800 19802.0 3
126.900 64356.5 9
128.100 722773.0 101
129.000 2103962.5 294
143.200 247525.0 35
145.200 99010.0 14
146.200 3826736.5 536
157.000 49505.0 7
171.200 381188.5 53
189.100 7138621.0 999
//
system version 2.2.8-SNAPSHOT