MassBank Record: KO000745



 D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000745
RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F001

CH$NAME: Fructose 6-phosphate CH$NAME: Neuberg ester CH$NAME: D-Fructose 6-phosphoric acid CH$NAME: D-Fructose 6-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H13O9P CH$EXACT_MASS: 260.02972 CH$SMILES: OCC(O)(O1)C(O)C(O)C(COP(O)(O)=O)1 CH$IUPAC: InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1 CH$LINK: CAS 643-13-0 CH$LINK: CHEBI 15946 CH$LINK: KEGG C00085 CH$LINK: NIKKAJI J92.807K CH$LINK: PUBCHEM SID:3385
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 259 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00kb-9710000000-5d6429381cefb6a2bdc7 PK$NUM_PEAK: 70 PK$PEAK: m/z int. rel.int. 42.400 103960.5 2 45.100 49505.0 1 59.200 10881199.0 235 61.400 183168.5 4 63.300 14851.5 1 70.600 29703.0 1 71.800 14851.5 1 74.500 29703.0 1 77.100 2237626.0 48 79.000 4009905.0 86 83.200 34653.5 1 86.900 103960.5 2 88.300 64356.5 1 89.100 99010.0 2 90.900 198020.0 4 93.000 103960.5 2 95.400 178218.0 4 97.200 46341630.5 999 99.500 34653.5 1 101.200 940595.0 20 102.800 24752.5 1 104.800 490099.5 11 113.500 89109.0 2 114.900 168317.0 4 116.200 99010.0 2 116.900 945545.5 20 119.000 27767354.5 599 121.400 99010.0 2 125.000 94059.5 2 126.800 103960.5 2 131.200 480198.5 10 133.000 49505.0 1 134.000 148515.0 3 137.000 64356.5 1 139.200 4678222.5 101 141.100 1138615.0 25 142.900 148515.0 3 143.500 44554.5 1 144.900 74257.5 2 145.300 24752.5 1 147.900 34653.5 1 151.200 2425745.0 52 154.900 113861.5 2 156.800 44554.5 1 161.200 346535.0 7 161.400 89109.0 2 169.200 4084162.5 88 172.200 1504952.0 32 176.900 44554.5 1 177.100 34653.5 1 178.800 19802.0 1 180.900 14851.5 1 183.100 267327.0 6 193.100 49505.0 1 195.300 44554.5 1 197.000 237624.0 5 198.300 84158.5 2 199.500 8004958.5 173 205.500 74257.5 2 213.000 59406.0 1 216.300 301980.5 7 216.700 34653.5 1 221.300 371287.5 8 223.300 742575.0 16 227.100 118812.0 3 229.600 29703.0 1 241.100 554456.0 12 241.500 118812.0 3 242.300 24752.5 1 259.200 5871293.0 127 //