MassBank Record: MSBNK-Keio_Univ-KO002967
ACCESSION: MSBNK-Keio_Univ-KO002967
RECORD_TITLE: Gly-Gly; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 133
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9000000000-838fb02e1a4a51356aac
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
29.800 34653.5 280
59.200 14851.5 120
68.300 19802.0 160
72.900 54455.5 440
73.400 14851.5 120
76.200 123762.5 999
//
system version 2.2.6-SNAPSHOT