ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009347
RECORD_TITLE: 5-BROMO-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$NAME: 5-BROMO-1-DIETHOXYPHOSPHORYL-4-HYDROXYPENTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈BrO₅P
CH$EXACT_MASS: 316.00752
CH$SMILES: CCOP(=O)(OCC)CC(=O)CC(O)CBr
CH$IUPAC: InChI=1S/C9H18BrO5P/c1-3-14-16(13,15-4-2)7-9(12)5-8(11)6-10/h8,11H,3-7H2,1-2H3
CH$LINK: INCHIKEY ZLBKIXSDTIHKAT-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$SPLASH: splash10-00di-3930000000-13bb1df2ddcfce842903
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  38 9 90
  40 7.43 74
  41 11.56 116
  42 27.11 271
  44 7.37 74
  58 6.17 62
  65 13.45 135
  77 7.47 75
  78 6.16 62
  79 8.52 85
  80 40.9 409
  91 6.25 63
  96 12.93 129
  97 25.66 257
  105 10.92 109
  108 10.66 107
  109 31.9 319
  121 15.17 152
  123 58.92 589
  124 6.28 63
  125 35.9 359
  137 10.93 109
  139 33.66 337
  149 11.07 111
  151 33.04 330
  152 17.83 178
  162 3.73 37
  163 18.7 187
  164 2.22 22
  166 3.15 32
  167 22.28 223
  177 2.23 22
  179 39.5 395
  180 3.06 31
  190 1.96 20
  191 9.29 93
  194 59.87 599
  195 23 230
  196 2.08 21
  209 2.67 27
  218 5.92 59
  219 47.13 471
  220 6.28 63
  221 1.61 16
  223 99.99 999
  224 9.48 95
  236 1.85 19
  237 13.11 131
  271 2.09 21
  273 2.01 20
  299 7.32 73
  301 7.82 78
  317 17.3 173
  318 1.96 20
  319 16.79 168
  320 1.82 18
//