ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002164
RECORD_TITLE: 12-METHYLTRIDECANOIC 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$NAME: 12-METHYLTRIDECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H30O2
CH$EXACT_MASS: 242.22458
CH$SMILES: COC(=O)CCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17-3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY FLESKWMKPOBWDE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20199288
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$SPLASH: splash10-00di-9200000000-966db9aaa54d6cbabdf9
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  43 3.4 34
  55 26.2 262
  56 7.3 73
  57 1.5 15
  59 3 30
  67 3 30
  69 13.1 131
  70 0.46 5
  71 2.3 23
  74 99.99 999
  75 16.6 166
  81 0.38 4
  83 9.2 92
  84 3 30
  85 2.3 23
  87 6.98 70
  88 8.1 81
  92 3.4 34
  95 3.4 34
  97 1.11 11
  98 1.9 19
  99 2.7 27
  101 9.2 92
  109 0.19 2
  111 4.6 46
  113 1.5 15
  115 3.8 38
  125 0.19 2
  126 1.9 19
  129 6.1 61
  130 3.4 34
  138 0.15 2
  143 15.8 158
  144 3 30
  154 1.9 19
  157 0.42 4
  159 2.3 23
  166 1.9 19
  185 1.5 15
  199 2.2 22
  200 4.2 42
  202 1.9 19
  211 2.3 23
  212 0.15 2
  242 7.3 73
  243 1.9 19
//
