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
//