MassBank Record: MSBNK-Keio_Univ-KO000879
ACCESSION: MSBNK-Keio_Univ-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
//
system version 2.2.6-SNAPSHOT