MassBank Record: KO008974

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Glu-Glu; LC-ESI-IT; MS3; m/z: 277/221; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: KO008974
RECORD_TITLE: Glu-Glu; LC-ESI-IT; MS3; m/z: 277/221; [M+H]+
DATE: 2012.10.22 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G043
COMMENT: [MS2] KO008970

CH$NAME: Glu-Glu
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16N2O7
CH$EXACT_MASS: 276.09575000000000954969436861574649810791015625
CH$SMILES: OC(=O)CCC(N)C(=O)NC(CCC(O)=O)C(O)=O
CH$IUPAC: InChI=1S/C10H16N2O7/c11-5(1-3-7(13)14)9(17)12-6(10(18)19)2-4-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
CH$LINK: CAS 3929-61-1
CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N
CH$LINK: KEGG C01425
CH$LINK: PUBCHEM 4610

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.90/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 277/221
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-00xu-0940000000-d979b52a9a3cd3bfe7d1
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  117.0 15.00 497
  122.0 4.40 146
  151.0 2.33 77
  163.0 1.57 52
  165.0 19.29 639
  193.1 20.27 672
  221.0 30.14 999
//