MassBank Record: KO000479

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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)

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$LINK: COMPTOX DTXSID7046706
CH$LINK: INCHIKEY LCQLHJZYVOQKHU-VKHMYHEASA-N
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.
  41.8 39604.0 64.0
  59.0 237624.0 384.0
  73.6 29703.0 48.0
  83.1 19802.0 32.0
  84.7 49505.0 80.0
  102.2 618812.0 999.0
  128.0 74257.5 120.0
  128.4 64356.5 104.0
  145.9 9901.0 16.0
//