MassBank Record: MSBNK-Keio_Univ-KO002642
ACCESSION: MSBNK-Keio_Univ-KO002642
RECORD_TITLE: 2,3-Diphosphoglycerate; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 267
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0uxr-1490000000-ddf502cfcfd4ff0bca0b
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
69.000 158416.0 250
69.700 34653.5 55
101.500 24752.5 39
120.200 14851.5 23
123.100 69307.0 109
124.000 64356.5 101
127.400 89109.0 140
135.300 34653.5 55
138.900 29703.0 47
152.200 64356.5 101
174.800 39604.0 62
185.100 158416.0 250
187.300 34653.5 55
197.200 34653.5 55
199.300 118812.0 187
203.000 74257.5 117
204.700 19802.0 31
206.900 74257.5 117
210.800 24752.5 39
216.700 29703.0 47
221.100 49505.0 78
228.200 14851.5 23
235.200 49505.0 78
249.000 69307.0 109
250.400 633664.0 999
267.200 425743.0 671
//