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MassBank Record: KO003340

Mannitol 1-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO003340
RECORD_TITLE: Mannitol 1-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 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 40 V

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

PK$SPLASH: splash10-08i0-9300000000-9c3caddbe76982beb86c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  57.300 34653.5 538
  63.100 64356.5 999
  77.100 34653.5 538
  150.800 24752.5 384
  169.100 29703.0 461
//

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