MassBank Record: MSBNK-Keio_Univ-KO000747
ACCESSION: MSBNK-Keio_Univ-KO000747
RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-054k-9000000000-96a6e03a3539255e4fa8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
35.100 39604.0 2
42.100 54455.5 3
45.000 128713.0 6
54.900 54455.5 3
57.400 49505.0 2
59.100 18034671.5 829
59.900 29703.0 1
61.300 212871.5 10
69.200 19802.0 1
71.000 519802.5 24
73.100 183168.5 8
79.000 19584178.0 900
81.500 44554.5 2
83.100 84158.5 4
85.200 49505.0 2
89.200 74257.5 3
93.300 34653.5 2
94.800 19802.0 1
95.500 29703.0 1
97.000 21727744.5 999
99.200 49505.0 2
101.300 148515.0 7
106.800 99010.0 5
115.200 153465.5 7
117.000 99010.0 5
120.900 74257.5 3
123.000 14851.5 1
131.300 94059.5 4
139.200 361386.5 17
145.100 153465.5 7
151.200 123762.5 6
161.000 29703.0 1
171.500 24752.5 1
172.100 564357.0 26
199.600 133663.5 6
//