ACCESSION: MSBNK-RIKEN-PR100335
RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (Created 2009.09.10, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-Mannose-6-phosphate
CH$NAME: Man-6P
CH$NAME: 6-phosphono-D-mannopyranose
CH$COMPOUND_CLASS: Natural Product; Carbohydrate; Phosphates
CH$FORMULA: C₆H₁₃O₉P
CH$EXACT_MASS: 260.02972
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: CHEMSPIDER 58636
CH$LINK: KEGG C00275
CH$LINK: KNAPSACK C00007307
CH$LINK: PUBCHEM CID:65127
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-N

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DATE 2008.07.28
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 261.03752
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-054k-9630000000-9ef73dfd273c4fc34787
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  69.0333 11.19 246
  80.9710 2.492 55
  81.0333 7.591 167
  85.0281 9.637 212
  97.0267 4.189 92
  98.9836 45.43 999
  99.0443 3.476 76
  99.5096 5.671 125
  100.5120 2.681 59
  109.0280 38.49 846
  127.0368 19.18 422
  145.0504 3.378 74
  207.0027 2.572 57
  207.0267 2.65 58
  225.0090 8.146 179
  243.0218 23.52 517
  261.0375 2.579 57
//