ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005891
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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00e9-9400000000-d4e4550e52bd90139f69
PK$NUM_PEAK: 78
PK$PEAK: m/z int. rel.int.
  15 1.61 16
  28 1.61 16
  29 3.61 36
  41 12.05 121
  42 9.24 92
  43 41.77 418
  44 1.61 16
  54 24.5 245
  55 49.8 498
  56 22.09 221
  57 15.66 157
  58 1.2 12
  59 21.28 213
  66 1.2 12
  67 12.85 129
  68 28.11 281
  69 50.6 506
  70 11.65 117
  71 16.47 165
  72 9.64 96
  73 7.23 72
  74 99.99 999
  75 11.65 117
  76 1.2 12
  79 2.01 20
  80 2.81 28
  81 18.07 181
  82 40.56 406
  83 41.36 414
  84 61.85 619
  85 18.07 181
  86 1.61 16
  87 30.32 303
  88 4.82 48
  93 1.2 12
  94 4.82 48
  95 14.86 149
  96 56.63 566
  97 19.28 193
  98 27.31 273
  99 5.77 58
  100 2.81 28
  101 16.06 161
  102 2.81 28
  108 1.61 16
  109 7.63 76
  110 14.66 147
  111 5.62 56
  112 2.21 22
  113 10.44 104
  114 28.51 285
  115 18.47 185
  116 2.81 28
  119 3.61 36
  122 9.64 96
  123 16.87 169
  124 85.94 859
  125 19.28 193
  126 1.61 16
  127 6.83 68
  128 8.84 88
  129 3.21 32
  130 1.61 16
  137 9.44 94
  138 8.63 86
  139 5.22 52
  141 4.42 44
  142 1.61 16
  148 6.83 68
  149 1.2 12
  151 1.2 12
  165 3.21 32
  176 43.77 438
  177 9.64 96
  178 1.2 12
  179 1.81 18
  198 18.27 183
  199 3.21 32
//