ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005850
RECORD_TITLE: METHYL 3-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$NAME: METHYL 3-UNDECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₂
CH$EXACT_MASS: 198.16198
CH$SMILES: CCCCCCCC=CCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h9-10H,3-8,11H2,1-2H3/b10-9+
CH$LINK: INCHIKEY UXEZTQUHDSYCQP-MDZDMXLPSA-N

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$SPLASH: splash10-0596-9200000000-7d52ab8a4c2980e32503
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  15 35.33 353
  26 1.24 12
  27 33.21 332
  28 7.96 80
  29 46.28 463
  30 1.12 11
  31 1.49 15
  39 31.85 319
  40 5.47 55
  41 99.99 999
  42 20.15 202
  43 82.85 829
  44 2.99 30
  45 2.74 27
  51 2.49 25
  52 2.24 22
  53 18.91 189
  54 59.71 597
  55 92.55 926
  56 28.36 284
  57 19.66 197
  58 1.49 15
  59 49.51 495
  60 1.24 12
  65 3.36 34
  66 2.99 30
  67 33.09 331
  68 29.11 291
  69 53.74 537
  70 11.44 114
  71 27.87 279
  72 9.95 100
  73 7.46 75
  74 93.3 933
  75 9.95 100
  76 1 10
  77 2.74 27
  79 5.22 52
  80 3.61 36
  81 24.13 241
  82 30.85 309
  83 40.31 403
  84 45.28 453
  85 20.15 202
  86 2.24 22
  87 25.38 254
  88 3.48 35
  91 1.24 12
  93 1.74 17
  94 3.48 35
  95 15.92 159
  96 43.29 433
  97 15.67 157
  98 19.16 192
  99 4.48 45
  100 2.24 22
  101 12.19 122
  102 1.74 17
  108 1.24 12
  109 6.47 65
  110 10.45 105
  111 4.48 45
  112 1.49 15
  113 9.45 95
  114 21.15 212
  115 11.94 119
  116 1.74 17
  119 2.36 24
  122 6.97 70
  123 12.44 124
  124 61.7 617
  125 12.94 129
  126 1.12 11
  127 5.47 55
  128 6.1 61
  129 2.36 24
  130 1 10
  137 6.97 70
  138 6.72 67
  139 3.98 40
  141 2.98 30
  142 1.12 11
  143 1 10
  148 4.23 42
  151 1 10
  155 2.36 24
  166 28.36 284
  167 6.72 67
  169 1 10
  198 12.44 124
  199 1.99 20
//