ACCESSION: MSBNK-Keio_Univ-KO000477
RECORD_TITLE: N-Carbamylglutamic acid; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-002b-0900000000-eb1fe6fcbdc6f376370e
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  44.800 108911.0 19
  59.100 633664.0 108
  82.900 19802.0 3
  102.200 1128714.0 192
  127.400 153465.5 26
  128.000 2064358.5 351
  129.000 1455447.0 247
  131.000 163366.5 28
  143.400 257426.0 44
  146.200 5881194.0 999
  156.900 29703.0 5
  172.100 19802.0 3
  189.400 84158.5 14
//