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MassBank Record: KO000476

N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: 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
//

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