MassBank Record: KO001324

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D-Mannose-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: KO001324
RECORD_TITLE: D-Mannose-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 M008

CH$NAME: Mannose 6-phosphate
CH$NAME: D-Mannose 6-phosphate
CH$NAME: D-Mannose-6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02971999999999752617441117763519287109375
CH$SMILES: O[C@H](O1)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6?/m1/s1
CH$LINK: CAS 3672-15-9
CH$LINK: CHEBI 17369
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N
CH$LINK: KEGG C00275
CH$LINK: PUBCHEM SID:3572

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 10 V

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

PK$SPLASH: splash10-0a4i-0090000000-ee3862553e46bc029664
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  59.000 143564.5 2
  94.700 34653.5 1
  97.000 1222773.5 17
  139.000 84158.5 1
  143.300 14851.5 1
  161.100 54455.5 1
  169.300 257426.0 4
  176.900 84158.5 1
  199.400 1267328.0 17
  223.500 64356.5 1
  241.400 34653.5 1
  259.100 73321855.5 999
//