MassBank Record: KO000478

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N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000478
RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:30 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: 190.05896999999998797648004256188869476318359375
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 30 V

MS$FOCUSED_ION: PRECURSOR_M/Z 189
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0udi-0900000000-245f4056f629592bd99f
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  45.100 59406.0 22
  59.200 386139.0 141
  73.700 24752.5 9
  82.900 14851.5 5
  84.400 24752.5 9
  101.900 2732676.0 999
  128.100 1089110.0 398
  129.200 198020.0 72
  129.500 39604.0 14
  130.600 84158.5 31
  142.900 44554.5 16
  146.300 500000.5 183
//