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MassBank Record: KO001326

D-Mannose-6-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: KO001326
RECORD_TITLE: D-Mannose-6-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 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 40 V

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

PK$SPLASH: splash10-002b-9000000000-5a72ffe04d6c8fbae687
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  59.100 212871.5 16
  70.700 29703.0 2
  73.300 89109.0 7
  79.100 11901002.0 870
  96.900 13658429.5 999
  134.100 19802.0 1
  138.900 381188.5 28
  151.400 19802.0 1
//

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