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MassBank Record: KO004042

D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO004042
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0gwg-2690000000-07b918727b2057fef99b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  83.000 811882.0 712
  87.000 19802.0 17
  91.300 34653.5 30
  100.700 44554.5 39
  105.000 54455.5 48
  109.200 188119.0 165
  111.800 34653.5 30
  113.700 79208.0 69
  120.200 14851.5 13
  120.900 84158.5 74
  123.000 34653.5 30
  137.300 24752.5 22
  142.000 14851.5 13
  142.900 955446.5 838
  145.000 202970.5 178
  146.700 64356.5 56
  147.400 29703.0 26
  156.900 59406.0 52
  159.200 59406.0 52
  160.600 9901.0 9
  165.400 173267.5 152
  169.100 44554.5 39
  174.100 19802.0 17
  184.100 9901.0 9
  187.200 103960.5 91
  190.900 24752.5 22
  194.700 193069.5 169
  198.200 29703.0 26
  199.500 29703.0 26
  203.000 1138615.0 999
  203.600 153465.5 135
  212.900 143564.5 126
  217.600 44554.5 39
  218.900 19802.0 17
  227.200 94059.5 83
  231.000 84158.5 74
  245.300 346535.0 304
  246.400 351485.5 308
  263.200 965347.5 847
//

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