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MassBank Record: KO001458

alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO001458
RECORD_TITLE: alpha-D-(+)-mannose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID M080

CH$NAME: Mannose 1-phosphate
CH$NAME: alpha-D-(+)-mannose 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02972
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
CH$LINK: KEGG C00636
CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-RWOPYEJCSA-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 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-052b-9040000000-5e9859b934698109cd87
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  59.100 321782.5 9
  72.600 19802.0 1
  78.900 6534660.0 176
  82.800 39604.0 1
  97.000 37113898.5 999
  105.300 272277.5 7
  106.300 153465.5 4
  113.000 19802.0 1
  117.000 24752.5 1
  122.700 24752.5 1
  124.900 14851.5 1
  139.200 168317.0 5
  142.500 24752.5 1
  148.100 54455.5 1
  161.300 59406.0 2
  169.000 163366.5 4
  175.000 19802.0 1
  176.900 108911.0 3
  187.300 19802.0 1
  190.000 118812.0 3
  190.600 103960.5 3
  191.300 39604.0 1
  193.300 99010.0 3
  199.000 1133664.5 31
  241.000 222772.5 6
  259.100 19628732.5 528
//

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