MassBank Record: MSBNK-Keio_Univ-KO004044
ACCESSION: MSBNK-Keio_Univ-KO004044
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-02cr-9400000000-9a6934242158038fcc73
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
57.100 24752.5 96
62.900 148515.0 576
67.100 14851.5 58
69.200 99010.0 384
77.200 198020.0 768
81.100 39604.0 154
82.900 257426.0 999
98.800 29703.0 115
108.900 84158.5 327
110.800 24752.5 96
114.000 24752.5 96
130.000 19802.0 77
154.600 44554.5 173
168.900 74257.5 288
190.900 14851.5 58
195.000 94059.5 365
203.000 14851.5 58
246.300 19802.0 77
//
system version 2.2.6-SNAPSHOT