ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009114
RECORD_TITLE: METHYL 10-UNDECENOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 111-81-9
CH$LINK: INCHIKEY KISVAASFGZJBCY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5046566

AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-05fu-9100000000-e91d6f18ada053603952
PK$NUM_PEAK: 77
PK$PEAK: m/z int. rel.int.
  14 1.53 15
  15 8.04 80
  18 1.13 11
  26 1.19 12
  27 13.63 136
  29 18.95 190
  30 1.33 13
  31 2.77 28
  39 21.74 217
  41 74.1 741
  42 13.84 138
  43 26.23 262
  44 1.49 15
  45 4.01 40
  51 1.38 14
  53 8.32 83
  54 12.08 121
  55 88.37 884
  56 8.86 89
  57 6.05 61
  59 29.93 299
  60 1.07 11
  65 1.56 16
  66 1.33 13
  67 17.24 172
  68 14.48 145
  69 35.57 356
  70 4.11 41
  71 3.64 36
  72 1.57 16
  73 6.53 65
  74 99.99 999
  75 7.21 72
  77 1.3 13
  79 3.44 34
  80 3 30
  81 12.53 125
  82 19.85 199
  83 28.29 283
  84 23.52 235
  85 4.3 43
  87 49.35 494
  88 5 50
  93 2.03 20
  94 2.84 28
  95 7.36 74
  96 28.98 290
  97 13.37 134
  98 11.89 119
  99 2.2 22
  100 1 10
  101 5.17 52
  107 2.03 20
  108 1.13 11
  109 3.38 34
  110 6.3 63
  111 3.43 34
  112 1.25 13
  113 2.84 28
  114 3.77 38
  115 4.38 44
  119 1.53 15
  122 4.76 48
  123 7.52 75
  124 24.67 247
  125 6.03 60
  127 1.87 19
  128 2.35 24
  129 1.7 17
  137 4.58 46
  138 3.52 35
  141 1.67 17
  148 2.18 22
  149 5.77 58
  155 1.24 12
  166 8.4 84
  167 3.13 31
//