ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009366
RECORD_TITLE: 5,5-DIETHOXY-1-DIETHOXYPHOSPHORYL-4-HYDROXYPENTAN-2-ONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 5,5-DIETHOXY-1-DIETHOXYPHOSPHORYL-4-HYDROXYPENTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₇O₇P
CH$EXACT_MASS: 326.14944
CH$SMILES: CCOC(OCC)C(O)CC(=O)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C13H27O7P/c1-5-17-13(18-6-2)12(15)9-11(14)10-21(16,19-7-3)20-8-4/h12-13,15H,5-10H2,1-4H3
CH$LINK: INCHIKEY MLYOGOHTSZHGEQ-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udi-3910000000-b1741c464dd70780e657
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  47 20.58 206
  75 31.38 314
  103 99.99 999
  104 5.87 59
  123 9.26 93
  152 5.64 56
  179 6.76 68
  223 15.71 157
  281 6.01 60
//