MassBank MassBank Search Contents Download

MassBank Record: KO002964

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

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

ACCESSION: KO002964
RECORD_TITLE: Gly-Gly; 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 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-003r-6900000000-086c493e2bef9931c65e
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  50.000 59406.0 3
  55.300 59406.0 3
  69.000 79208.0 4
  69.900 14851.5 1
  73.000 509901.5 26
  73.900 168317.0 9
  76.100 13693083.0 698
  78.900 44554.5 2
  83.100 1321783.5 67
  84.400 9901.0 1
  87.000 430693.5 22
  88.100 539604.5 28
  100.800 212871.5 11
  105.000 1376239.0 70
  114.900 801981.0 41
  116.200 1930695.0 98
  133.100 19584178.0 999
//

Imprint Feedback
system version 2.1.8
Copyright © 2006 MassBank Project; 2011 NORMAN Association; 2021 MassBank Consortium
Responsible: Dr. Tobias Schulze