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MassBank Record: KO003339

Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO003339
RECORD_TITLE: Mannitol 1-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 M011

CH$NAME: Mannitol 1-phosphate
CH$NAME: D-Mannitol 1-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$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
CH$LINK: CHEBI 16298
CH$LINK: KEGG C00644
CH$LINK: PUBCHEM SID:3917
CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-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$SPLASH: splash10-01q9-9300000000-4ba001d15034930de63b
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  45.600 14851.5 94
  56.800 49505.0 312
  62.900 89109.0 562
  68.700 44554.5 281
  77.200 44554.5 281
  83.100 158416.0 999
  98.700 24752.5 156
  105.300 24752.5 156
  113.300 14851.5 94
  119.200 24752.5 156
  137.100 29703.0 187
  146.900 14851.5 94
  162.800 14851.5 94
  194.700 59406.0 375
//

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