ACCESSION: MSBNK-Keio_Univ-KO000880
RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-00di-9000000000-7ba83a3b96d2fc869ebe
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  55.400 24752.5 16
  58.300 544555.0 361
  59.200 69307.0 46
  73.900 1504952.0 999
  85.300 232673.5 154
  87.200 341584.5 227
  131.000 19802.0 13
//