MassBank Record: MSBNK-Keio_Univ-KO000813
ACCESSION: MSBNK-Keio_Univ-KO000813
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 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 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-d3f6a05e18ea6d56c56d
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
59.100 381188.5 14
59.700 14851.5 1
70.700 113861.5 4
79.000 27782206.0 999
80.000 252475.5 9
97.000 12163378.5 437
138.700 29703.0 1
//