ACCESSION: MSBNK-Keio_Univ-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
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 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
//