ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009353
RECORD_TITLE: 1-DIETHOXYPHOSPHORYL-4-HYDROXY-4-METHOXYCARBONYLBUTAN-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$NAME: 1-DIETHOXYPHOSPHORYL-4-HYDROXY-4-METHOXYCARBONYLBUTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H19O7P
CH$EXACT_MASS: 282.08684
CH$SMILES: COC(=O)C(O)CC(=O)CP(=O)(OCC)OCC
CH$IUPAC: InChI=1S/C10H19O7P/c1-4-16-18(14,17-5-2)7-8(11)6-9(12)10(13)15-3/h9,12H,4-7H2,1-3H3
CH$LINK: INCHIKEY PUNMCCFNGLRFTH-UHFFFAOYSA-N
AC$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: splash10-00di-1930000000-c30b70a398c858332daa
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  55 4.34 43
  58 3.79 38
  59 5.09 51
  65 11.48 115
  71 4.21 42
  80 4.58 46
  109 10.08 101
  121 10.11 101
  123 54.33 543
  124 4.79 48
  125 33.64 336
  137 11.76 118
  139 21.39 214
  149 10.07 101
  151 23.1 231
  152 20.63 206
  167 13.54 135
  177 4.02 40
  179 28.99 290
  194 21.7 217
  195 15.8 158
  196 1.35 14
  205 1.41 14
  209 1.77 18
  219 1.59 16
  221 1.75 18
  222 3.06 31
  223 99.99 999
  224 6.16 62
  282 1.89 19
//
