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MassBank Record: KO000879

Gly-Gly; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000879
RECORD_TITLE: Gly-Gly; 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 G037

CH$NAME: Gly-Gly
CH$NAME: Glycylglycine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C4H8N2O3
CH$EXACT_MASS: 132.05349
CH$SMILES: NCC(=O)NCC(O)=O
CH$IUPAC: InChI=1S/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
CH$LINK: CAS 556-50-3
CH$LINK: CHEBI 17201
CH$LINK: KEGG C02037
CH$LINK: NIKKAJI J2.659J
CH$LINK: PUBCHEM SID:5129
CH$LINK: INCHIKEY YMAWOPBAYDPSLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90862194

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$FOCUSED_ION: PRECURSOR_M/Z 131
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00dr-9100000000-d1fb7ab0c1ba8cc65835
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  47.900 19802.0 4
  55.400 79208.0 14
  57.500 39604.0 7
  58.000 1569308.5 285
  58.900 94059.5 17
  69.100 99010.0 18
  71.100 34653.5 6
  74.100 5500005.5 999
  83.600 34653.5 6
  85.300 727723.5 132
  87.300 4698024.5 853
  88.800 29703.0 5
  90.100 54455.5 10
  99.200 183168.5 33
  113.300 99010.0 18
  114.400 34653.5 6
  131.000 2465349.0 448
//

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