ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002281
RECORD_TITLE: 4-DIMETHOXYMETHYL-3-PHENYL-5-OXOHEXANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: 4-DIMETHOXYMETHYL-3-PHENYL-5-OXOHEXANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀O₄
CH$EXACT_MASS: 264.13616
CH$SMILES: O=CCC(c(c1)cccc1)C(C(C)=O)C(OC)OC
CH$IUPAC: InChI=1S/C15H20O4/c1-11(17)14(15(18-2)19-3)13(9-10-16)12-7-5-4-6-8-12/h4-8,10,13-15H,9H2,1-3H3
CH$LINK: INCHIKEY UBLRDRTVLCTAKO-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0059-5910000000-27ca3eeee38a3431a9e5
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  18 1.56 16
  28 2.02 20
  29 1.96 20
  31 15.91 159
  43 13.12 131
  58 2.44 24
  60 2.51 25
  68 1.69 17
  71 2.46 25
  75 99.99 999
  76 3.39 34
  77 1.89 19
  78 2.53 25
  85 20.1 201
  91 2 20
  95 8.45 85
  100 5.3 53
  101 21.62 216
  103 5.85 59
  104 14.93 149
  105 4.75 48
  115 3.92 39
  117 1.59 16
  123 2.32 23
  128 4.74 47
  129 11 110
  130 5.86 59
  131 37.97 380
  132 21.03 210
  133 2.8 28
  141 1.46 15
  143 3.83 38
  145 4.33 43
  146 3.62 36
  147 13.42 134
  148 1.84 18
  154 2.02 20
  155 3.64 36
  157 22.45 225
  158 9.13 91
  159 2.63 26
  171 8.43 84
  172 25.94 259
  173 6.47 65
  183 1.44 14
  185 1.45 15
  189 14.18 142
  190 3.16 32
  199 3.78 38
  200 13.38 134
  201 3.13 31
  204 2.18 22
  213 2.02 20
  214 20.57 206
  215 3.26 33
  232 3.46 35
  246 4.02 40
//