ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005849
RECORD_TITLE: METHYL 10-UNDECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 10-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: C=CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3H,1,4-11H2,2H3
CH$LINK: INCHIKEY KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5046566

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-05fu-9100000000-487cec931827f3f1b724
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  15 15.25 153
  27 16.71 167
  28 5.81 58
  29 23.24 232
  31 1.94 19
  39 20.82 208
  40 3.87 39
  41 69.73 697
  42 13.08 131
  43 20.7 207
  44 1.21 12
  45 4.12 41
  51 1.09 11
  53 7.51 75
  54 13.08 131
  55 75.79 758
  56 9.08 91
  57 4.24 42
  59 17.68 177
  65 1.45 15
  66 1.09 11
  67 15.74 157
  68 15 150
  69 32.81 328
  70 4.12 41
  71 3.75 38
  72 1.45 15
  73 6.78 68
  74 99.99 999
  75 8.96 90
  77 1.09 11
  79 3.27 33
  80 3.15 32
  81 13.56 136
  82 22.03 220
  83 26.15 262
  84 26.76 268
  85 4.84 48
  87 45.28 453
  88 5.32 53
  93 1.94 19
  94 3.63 36
  95 6.9 69
  96 25.67 257
  97 12.23 122
  98 16.46 165
  99 2.66 27
  101 5.81 58
  102 1.09 11
  107 1.94 19
  109 1.09 11
  110 3.15 32
  111 7.51 75
  112 3.87 39
  113 1.21 12
  114 4.36 44
  115 5.08 51
  116 1.33 13
  119 1.57 16
  122 6.05 61
  123 8.47 85
  124 25.91 259
  125 6.78 68
  127 1.94 19
  128 3.39 34
  129 1.69 17
  137 5.57 56
  138 3.63 36
  141 1.94 19
  143 1.21 12
  148 3.75 38
  149 7.63 76
  150 1.09 11
  155 1.69 17
  166 19.37 194
  167 7.51 75
  198 1.21 12
//