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MassBank Record: KO003338

Mannitol 1-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: KO003338
RECORD_TITLE: Mannitol 1-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 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 20 V

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

PK$SPLASH: splash10-001i-9670000000-03053fb004aa1c4e49ec
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  45.800 14851.5 24
  58.500 9901.0 16
  62.200 49505.0 81
  68.800 9901.0 16
  77.000 64356.5 106
  83.200 608911.5 999
  87.300 39604.0 65
  95.400 19802.0 32
  100.200 14851.5 24
  105.000 49505.0 81
  111.600 9901.0 16
  116.900 14851.5 24
  120.900 34653.5 57
  123.900 34653.5 57
  124.200 54455.5 89
  135.900 24752.5 41
  157.300 54455.5 89
  163.200 44554.5 73
  172.700 9901.0 16
  180.800 34653.5 57
  186.100 24752.5 41
  192.100 9901.0 16
  194.800 99010.0 162
  198.900 39604.0 65
  203.400 297030.0 487
  204.100 19802.0 32
  225.000 89109.0 146
  227.100 74257.5 122
  231.400 158416.0 260
  245.000 34653.5 57
  263.200 44554.5 73
//

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