MassBank Record: MSBNK-Keio_Univ-KO002918
ACCESSION: MSBNK-Keio_Univ-KO002918
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 261
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03gi-9600000000-b0ab13cb7b2153f52f56
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
43.200 79208.0 165
44.200 24752.5 51
46.200 39604.0 82
55.100 193069.5 402
56.000 158416.0 330
69.100 287129.0 597
69.900 153465.5 319
71.200 94059.5 196
72.300 44554.5 93
73.300 207921.0 433
74.000 163366.5 340
74.400 14851.5 31
80.800 79208.0 165
82.100 381188.5 793
83.500 64356.5 134
84.100 207921.0 433
85.100 138614.0 288
100.100 59406.0 124
109.400 118812.0 247
110.200 480198.5 999
111.000 306931.0 639
118.600 24752.5 51
127.000 420792.5 875
128.100 341584.5 711
//
system version 2.2.6-SNAPSHOT