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MassBank Record: KO001325

D-Mannose-6-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: KO001325
RECORD_TITLE: D-Mannose-6-phosphate; LC-ESI-QQ; MS2; CE:20 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: 260.02972
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: CHEBI 17369
CH$LINK: KEGG C00275
CH$LINK: PUBCHEM SID:3572
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-QTVWNMPRSA-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$SPLASH: splash10-0002-9230000000-bea660b502c36fc13417
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  58.900 173267.5 8
  78.900 1673269.0 74
  86.800 74257.5 3
  97.100 22475270.0 999
  101.200 232673.5 10
  116.800 252475.5 11
  139.000 1811883.0 81
  143.300 59406.0 3
  146.700 9901.0 1
  150.800 84158.5 4
  160.700 29703.0 1
  168.900 1336635.0 59
  176.900 485149.0 22
  190.100 34653.5 2
  191.200 29703.0 1
  199.100 3737627.5 166
  201.500 39604.0 2
  205.000 34653.5 2
  213.300 44554.5 2
  223.300 222772.5 10
  240.900 123762.5 6
  259.100 7752483.0 345
//

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