ACCESSION: MSBNK-Keio_Univ-KO002979
RECORD_TITLE: Glu-Glu; 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 G043

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)
CH$LINK: CAS 3929-61-1
CH$LINK: KEGG C01425
CH$LINK: NIKKAJI J364.668H
CH$LINK: PUBCHEM SID:4610
CH$LINK: INCHIKEY KOSRFJWDECSPRO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70960026

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 277
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0a6r-0090000000-efe40fa35a6a89ca40d0
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  68.100 14851.5 1
  74.700 19802.0 1
  75.200 24752.5 1
  82.900 44554.5 2
  84.100 14851.5 1
  87.300 14851.5 1
  91.000 44554.5 2
  95.300 14851.5 1
  104.900 69307.0 3
  105.400 29703.0 1
  108.900 9901.0 1
  111.500 69307.0 3
  115.100 54455.5 3
  122.400 143564.5 7
  123.000 64356.5 3
  128.700 108911.0 5
  129.500 69307.0 3
  130.900 29703.0 1
  132.700 19802.0 1
  137.000 44554.5 2
  143.100 34653.5 2
  145.700 44554.5 2
  146.600 39604.0 2
  147.900 39604.0 2
  149.000 24752.5 1
  156.800 237624.0 11
  159.300 19802.0 1
  163.000 44554.5 2
  165.000 39604.0 2
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  169.000 19802.0 1
  170.900 84158.5 4
  172.700 14851.5 1
  175.400 59406.0 3
  186.800 188119.0 9
  195.000 39604.0 2
  198.300 69307.0 3
  199.000 232673.5 11
  200.500 44554.5 2
  205.200 24752.5 1
  213.300 311881.5 15
  215.000 188119.0 9
  217.400 1405942.0 68
  219.100 24752.5 1
  223.100 94059.5 5
  224.400 49505.0 2
  228.300 54455.5 3
  241.300 1460397.5 70
  245.200 381188.5 18
  258.200 14851.5 1
  259.300 20767347.5 999
  260.600 1678219.5 81
  277.600 19945564.5 959
//