ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012128
RECORD_TITLE: 6-DECYL-4-METHOXY-2H-PYRAN-2-ONE-3-CARBOXALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, INSTITUTE FOR CHEMICAL REACTION SCIENCE TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 6-DECYL-4-METHOXY-2H-PYRAN-2-ONE-3-CARBOXALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₆O₄
CH$EXACT_MASS: 294.18311
CH$SMILES: CCCCCCCCCCC(O1)=CC(OC)=C(C=O)C(=O)1
CH$IUPAC: InChI=1S/C17H26O4/c1-3-4-5-6-7-8-9-10-11-14-12-16(20-2)15(13-18)17(19)21-14/h12-13H,3-11H2,1-2H3
CH$LINK: INCHIKEY MNCBVHHTEQODCX-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-0fr6-5940000000-1b4c821eb2087cf235fc
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  39 11.73 117
  41 38.09 381
  42 5.67 57
  43 37.53 375
  53 13.78 138
  55 31.84 318
  57 9.13 91
  59 14.63 146
  66 6.31 63
  67 12.95 130
  68 7.32 73
  69 26.93 269
  71 5.8 58
  79 6.5 65
  81 12.2 122
  82 5.89 59
  83 9.17 92
  93 12.57 126
  95 16.73 167
  97 8.99 90
  98 5.22 52
  107 6.06 61
  109 7.42 74
  110 19.64 196
  111 9.41 94
  119 8.87 89
  121 10.3 103
  123 25.74 257
  125 24.41 244
  127 7.39 74
  131 5.84 58
  133 9.78 98
  137 6.38 64
  139 6.21 62
  140 57.62 576
  141 7.2 72
  147 5.83 58
  149 5.76 58
  150 10.36 104
  151 11.75 118
  153 99.99 999
  154 11.92 119
  163 16.44 164
  164 7.23 72
  167 9.62 96
  168 6.48 65
  174 5.35 54
  177 21.44 214
  178 7.87 79
  181 25.37 254
  182 10.51 105
  191 6.57 66
  195 9.38 94
  196 13.98 140
  206 6.65 67
  207 16.53 165
  209 8.19 82
  223 5.67 57
  237 32.9 329
  238 6.68 67
  265 31.09 311
  266 56.05 561
  267 10.1 101
  293 5.62 56
  294 34.67 347
  295 9.92 99
//