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MassBank Record: KO000883

Glu-Glu; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000883
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 275
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-0090000000-63af70559e553f57c4b8
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  59.000 945545.5 12
  111.300 24752.5 1
  127.800 559406.5 7
  128.600 64356.5 1
  146.400 331683.5 4
  193.100 945545.5 12
  195.500 9901.0 1
  200.700 9901.0 1
  215.100 64356.5 1
  229.300 39604.0 1
  231.100 39604.0 1
  238.700 69307.0 1
  242.100 74257.5 1
  257.300 1668318.5 21
  275.300 81039685.0 999
//

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