ACCESSION: MSBNK-Keio_Univ-KO002880
RECORD_TITLE: Fructose 1,6-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 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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 341
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0kk9-0392000000-2e114e2ff3476fa48de6
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  87.200 24752.5 116
  109.100 34653.5 163
  125.700 39604.0 186
  128.300 24752.5 116
  142.700 14851.5 70
  143.900 24752.5 116
  154.100 14851.5 70
  162.300 34653.5 163
  170.000 34653.5 163
  199.000 49505.0 232
  203.500 89109.0 418
  207.200 108911.0 511
  221.300 64356.5 302
  225.200 212871.5 999
  237.300 79208.0 372
  251.200 14851.5 70
  265.700 54455.5 256
  281.000 34653.5 163
  281.600 54455.5 256
  288.100 14851.5 70
  303.500 69307.0 325
  305.300 29703.0 139
  309.600 19802.0 93
  323.100 79208.0 372
//