MassBank Record: MSBNK-Keio_Univ-KO002915
ACCESSION: MSBNK-Keio_Univ-KO002915
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G003
CH$NAME: Glucose 6-phosphate
CH$NAME: D-Glucose 6-phosphate
CH$NAME: Robison ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02972
CH$SMILES: OC(O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: CAS
56-73-5
CH$LINK: CHEBI
15954
CH$LINK: KEGG
C00092
CH$LINK: NIKKAJI
J40.066A J166.116G
CH$LINK: PUBCHEM
SID:3392
CH$LINK: INCHIKEY
NBSCHQHZLSJFNQ-GASJEMHNSA-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 261
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-0900000000-b84eb7685667fa7ee85e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
57.100 44554.5 6
70.700 64356.5 9
73.100 74257.5 11
80.800 306931.0 44
82.100 168317.0 24
99.200 574258.0 81
100.300 564357.0 80
110.400 24752.5 4
113.000 9901.0 1
117.200 2440596.5 346
118.100 1935645.5 274
127.200 6425749.0 911
128.100 7044561.5 999
143.200 14851.5 2
145.100 876238.5 124
145.600 153465.5 22
146.500 14851.5 2
163.300 2737626.5 388
170.900 14851.5 2
197.100 19802.0 3
207.300 49505.0 7
225.900 29703.0 4
229.300 39604.0 6
244.100 222772.5 32
//