MassBank Record: MSBNK-Keio_Univ-KO002643
ACCESSION: MSBNK-Keio_Univ-KO002643
RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.05.21)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D017
CH$NAME: 2,3-Diphosphoglycerate
CH$NAME: 2,3-Disphospho-D-glycerate
CH$NAME: D-Greenwald ester
CH$NAME: 2,3-Bisphospho-D-glycerate
CH$NAME: DPG
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C3H8O10P2
CH$EXACT_MASS: 265.95927
CH$SMILES: OC(=O)[C@@H](COP(O)(O)=O)OP(O)(O)=O
CH$IUPAC: InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1
CH$LINK: CHEBI
17720
CH$LINK: KEGG
C01159
CH$LINK: PUBCHEM
SID:4387
CH$LINK: INCHIKEY
XOHUEYCVLUUEJJ-UWTATZPHSA-N
AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00xr-6910000000-1d9a19b2b74a2b624651
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
57.200 39604.0 186
69.100 212871.5 999
71.000 54455.5 256
71.800 59406.0 279
85.000 29703.0 139
86.200 44554.5 209
105.000 49505.0 232
116.900 9901.0 46
120.100 29703.0 139
123.200 84158.5 395
123.900 79208.0 372
129.000 34653.5 163
134.800 44554.5 209
136.600 14851.5 70
137.800 19802.0 93
149.100 19802.0 93
185.100 118812.0 558
199.200 69307.0 325
207.100 54455.5 256
250.400 54455.5 256
//