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MassBank Record: KO003337

Mannitol 1-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: KO003337
RECORD_TITLE: Mannitol 1-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 M011

CH$NAME: Mannitol 1-phosphate
CH$NAME: D-Mannitol 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H15O9P
CH$EXACT_MASS: 262.04537
CH$SMILES: OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
CH$LINK: CHEBI 16298
CH$LINK: KEGG C00644
CH$LINK: PUBCHEM SID:3917
CH$LINK: INCHIKEY GACTWZZMVMUKNG-KVTDHHQDSA-N

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0w34-1490000000-d2e962eeeb8b5314f806
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  68.700 19802.0 19
  83.100 554456.0 518
  99.000 24752.5 23
  100.900 44554.5 42
  105.200 54455.5 51
  141.200 29703.0 28
  142.900 648515.5 606
  145.000 158416.0 148
  156.800 34653.5 32
  163.400 69307.0 65
  165.200 39604.0 37
  173.100 49505.0 46
  183.200 19802.0 19
  186.900 79208.0 74
  191.900 9901.0 9
  195.000 232673.5 217
  196.400 14851.5 14
  199.300 143564.5 134
  203.200 1069308.0 999
  204.900 49505.0 46
  208.600 34653.5 32
  209.300 24752.5 23
  213.100 103960.5 97
  214.400 34653.5 32
  217.000 54455.5 51
  219.100 24752.5 23
  225.200 183168.5 171
  226.900 331683.5 310
  227.500 74257.5 69
  230.200 54455.5 51
  231.200 509901.5 476
  245.200 79208.0 74
  246.400 118812.0 111
  263.300 633664.0 592
//

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