MassBank Record: MSBNK-Keio_Univ-KO001840
ACCESSION: MSBNK-Keio_Univ-KO001840
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:40 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 261
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004j-9000000000-5048269b3b24ce10885c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
59.100 153465.5 4
71.100 24752.5 1
77.900 19802.0 1
79.000 39000039.0 999
92.700 128713.0 3
97.000 31440625.5 805
118.500 9901.0 1
127.200 84158.5 2
144.900 39604.0 1
260.800 133663.5 3
//
system version 2.2.6-SNAPSHOT