ACCESSION: MSBNK-Keio_Univ-KO008971
RECORD_TITLE: Glu-Glu; LC-ESI-IT; MS3; m/z: 277/259; [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: 276.09575
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: KEGG C01425
CH$LINK: PUBCHEM 4610
CH$LINK: INCHIKEY KOSRFJWDECSPRO-WDSKDSINSA-N

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 0.70/0.50

MS$FOCUSED_ION: PRECURSOR_M/Z 277/259
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0006-0190000000-ad81a060b594a37ff5a2
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  81.3 6.23 1
  84.1 5787.09 103
  102.1 77.50 1
  109.0 2.36 1
  112.1 19.14 1
  114.0 6.41 1
  129.1 353.69 6
  130.1 6502.31 116
  135.2 47.09 1
  137.9 5.41 1
  147.1 29.14 1
  148.1 1323.30 24
  150.1 8.18 1
  157.0 9.14 1
  161.1 43.14 1
  162.9 29.05 1
  167.1 369.56 7
  168.1 3.73 1
  171.1 15.45 1
  175.2 10.64 1
  178.2 36.27 1
  181.0 19.36 1
  187.3 25.27 1
  194.3 25.45 1
  195.0 3712.10 66
  196.0 22.05 1
  199.2 5.50 1
  203.2 38.32 1
  208.2 8.09 1
  212.4 7.32 1
  213.1 5001.40 89
  214.1 132.28 2
  215.0 20.55 1
  217.2 16.77 1
  218.0 29.41 1
  221.2 4.73 1
  222.4 62.82 1
  223.1 5934.71 106
  224.1 8.77 1
  231.1 69.09 1
  240.2 116.41 2
  241.1 56159.40 999
  242.0 43.50 1
  242.8 24.77 1
  244.1 6.86 1
  246.4 11.36 1
  258.4 5.91 1
  259.1 7495.18 133
  260.4 6.05 1
  275.3 3.23 1
  279.0 9.14 1
  304.4 29.68 1
//