MassBank Record: MSBNK-Keio_Univ-KO001756
ACCESSION: MSBNK-Keio_Univ-KO001756
RECORD_TITLE: Ribulose 1,5-diphosphate; 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 R005
CH$NAME: Ribulose 1,5-diphosphate
CH$NAME: D-Ribulose 1,5-bisphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H12O11P2
CH$EXACT_MASS: 309.98548
CH$SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)C(=O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1
CH$LINK: CAS
24218-00-6
CH$LINK: CHEBI
16710
CH$LINK: KEGG
C01182
CH$LINK: PUBCHEM
SID:4409
CH$LINK: INCHIKEY
YAHZABJORDUQGO-NQXXGFSBSA-N
CH$LINK: COMPTOX
DTXSID30173837
AC$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$FOCUSED_ION: PRECURSOR_M/Z 309
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9223000000-bfa6706a59d37f36da10
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
59.200 356436.0 94
73.100 143564.5 38
79.000 64356.5 17
93.200 59406.0 16
97.000 3797033.5 999
104.500 39604.0 10
127.700 19802.0 5
129.000 64356.5 17
130.600 24752.5 7
138.900 128713.0 34
142.900 24752.5 7
151.000 24752.5 7
154.800 64356.5 17
156.700 19802.0 5
165.200 54455.5 14
168.800 9901.0 3
174.700 14851.5 4
177.200 336634.0 89
180.900 64356.5 17
189.300 44554.5 12
193.100 188119.0 49
203.400 19802.0 5
211.200 688119.5 181
227.000 108911.0 29
236.700 44554.5 12
241.000 59406.0 16
247.800 19802.0 5
249.200 84158.5 22
252.700 19802.0 5
265.200 29703.0 8
277.600 222772.5 59
291.300 54455.5 14
309.200 1579209.5 415
//
system version 2.2.6-SNAPSHOT