MassBank Record: MSBNK-Keio_Univ-KO000878
ACCESSION: MSBNK-Keio_Univ-KO000878
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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-001i-0900000000-ed69bb1a3dbb10d0d5e8
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
58.500 34653.5 1
74.000 2163368.5 44
84.900 29703.0 1
87.200 1544556.0 32
88.600 34653.5 1
89.700 99010.0 2
99.100 920793.0 19
101.200 39604.0 1
102.700 34653.5 1
112.800 103960.5 2
114.600 34653.5 1
130.900 48569355.5 999
//
system version 2.2.6-SNAPSHOT