MassBank Record: MSBNK-Keio_Univ-KO000745
ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY
BGWGXPAPYGQALX-VRPWFDPXSA-N
AC$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
//