MassBank Record: MSBNK-Keio_Univ-KO002879
ACCESSION: MSBNK-Keio_Univ-KO002879
RECORD_TITLE: Fructose 1,6-diphosphate; 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 F008
CH$NAME: Fructose 1,6-diphosphate
CH$NAME: D-Fructose 1,6-bisphosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H14O12P2
CH$EXACT_MASS: 339.99605
CH$SMILES: OC(COP(O)(O)=O)C(O)C(O)C(=O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
CH$LINK: CAS
488-69-7
CH$LINK: CHEBI
16905
CH$LINK: KEGG
C00354
CH$LINK: NIKKAJI
J15.941G
CH$LINK: PUBCHEM
SID:3647
CH$LINK: INCHIKEY
XPYBSIWDXQFNMH-UYFOZJQFSA-N
AC$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$FOCUSED_ION: PRECURSOR_M/Z 341
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00gl-0197000000-2c666d207be881c4ef28
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
162.000 29703.0 95
169.900 49505.0 159
170.300 54455.5 174
198.900 64356.5 206
203.700 29703.0 95
205.000 59406.0 190
215.400 19802.0 63
221.100 54455.5 174
225.400 202970.5 650
237.100 74257.5 238
242.900 19802.0 63
251.400 19802.0 63
259.200 29703.0 95
279.100 44554.5 143
280.500 39604.0 127
281.300 207921.0 666
283.200 54455.5 174
291.100 9901.0 32
297.200 64356.5 206
302.400 14851.5 48
303.200 54455.5 174
305.200 44554.5 143
309.100 49505.0 159
323.100 242574.5 777
324.000 44554.5 143
341.300 311881.5 999
341.800 54455.5 174
//