ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002193
RECORD_TITLE: 10-UNDECENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: 10-UNDECENOIC ACID METHYL ESTER
CH$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$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00m0-9200000000-050afee53e08a93ecb26
PK$NUM_PEAK: 83
PK$PEAK: m/z int. rel.int.
  42 3 30
  47 1 10
  50 1.3 13
  51 0.2 2
  52 2.6 26
  53 12 120
  54 24 240
  55 5.93 59
  56 20 200
  57 15 150
  58 1 10
  59 2.43 24
  65 3.6 36
  66 1.6 16
  67 49.3 493
  68 3.36 34
  69 69.3 693
  70 10.6 106
  71 5.6 56
  72 0.33 3
  73 13.3 133
  74 42 420
  75 18.3 183
  77 0.23 2
  78 1.6 16
  79 10 100
  80 7.3 73
  81 3.3 33
  82 57 570
  83 72 720
  84 56 560
  85 1.23 12
  86 2 20
  87 99.99 999
  88 10 100
  91 0.3 3
  93 6.6 66
  94 9.3 93
  95 16.6 166
  96 6.86 69
  97 34.6 346
  98 35.3 353
  99 6 60
  100 0.2 2
  101 13.3 133
  102 2 20
  106 1.3 13
  107 0.6 6
  108 2.3 23
  109 11 110
  110 15.6 156
  111 1.16 12
  112 1.6 16
  113 5.6 56
  114 9.6 96
  115 0.86 9
  116 1 10
  118 1.6 16
  119 8 80
  120 0.1 1
  121 1.6 16
  122 11.6 116
  123 20.3 203
  124 5.36 54
  125 13.3 133
  127 2.6 26
  128 4.3 43
  129 0.16 2
  133 2 20
  137 14.6 146
  138 7.6 76
  139 0.1 1
  141 2.6 26
  143 1 10
  148 8 80
  149 1.76 18
  150 2 20
  151 1.6 16
  154 1 10
  155 0.3 3
  166 16.3 163
  167 5.6 56
  198 1.3 13
//