MassBank Record: MSBNK-Keio_Univ-KO004043
ACCESSION: MSBNK-Keio_Univ-KO004043
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 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 S049
CH$NAME: Sorbitol 6-phosphate
CH$NAME: D-Sorbitol 6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15O9P
CH$EXACT_MASS: 262.04537
CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1
CH$LINK: CAS
20479-58-7
CH$LINK: CHEBI
17044
CH$LINK: KEGG
C01096
CH$LINK: PUBCHEM
SID:4331
CH$LINK: INCHIKEY
GACTWZZMVMUKNG-SLPGGIOYSA-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 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-9520000000-85907edcda67a134543a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
45.800 44554.5 40
62.700 193069.5 173
69.000 29703.0 27
72.700 19802.0 18
76.900 188119.0 169
81.200 34653.5 31
83.300 1113862.5 999
86.700 24752.5 22
98.700 19802.0 18
101.000 19802.0 18
104.900 113861.5 102
109.000 123762.5 111
111.400 39604.0 36
113.300 84158.5 75
121.100 128713.0 115
129.100 54455.5 49
129.800 39604.0 36
146.900 59406.0 53
154.700 24752.5 22
158.400 19802.0 18
169.200 49505.0 44
191.000 39604.0 36
195.100 217822.0 195
203.200 356436.0 320
246.500 29703.0 27
263.200 108911.0 98
//
system version 2.2.6-SNAPSHOT