ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002166
RECORD_TITLE: 14-METHYLPENTADECANOIC 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$NAME: 14-METHYLPENTADECANOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₄O₂
CH$EXACT_MASS: 270.25588
CH$SMILES: COC(=O)CCCCCCCCCCCCC(C)C
CH$IUPAC: InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-5-7-9-11-13-15-17(18)19-3/h16H,4-15H2,1-3H3
CH$LINK: INCHIKEY WAKCWJNDXBPEBP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80199289

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$SPLASH: splash10-00di-9210000000-cb4ca10245305ebee3ba
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  42 4.7 47
  43 2 20
  55 21.6 216
  56 0.6 6
  57 17.5 175
  59 2 20
  67 4 40
  68 0.47 5
  69 17.5 175
  71 8.1 81
  72 2.7 27
  74 99.99 999
  75 14.1 141
  81 4.7 47
  83 14.1 141
  87 5.6 56
  88 6.7 67
  89 2 20
  93 3.3 33
  97 0.54 5
  98 2.7 27
  101 10.1 101
  102 3.3 33
  112 0.33 3
  124 3.3 33
  126 2.7 27
  129 6 60
  135 0.4 4
  137 3.3 33
  138 3.3 33
  139 2 20
  143 1.55 16
  144 3.3 33
  147 3.3 33
  153 3.3 33
  159 0.27 3
  166 2.7 27
  170 2 20
  171 7.4 74
  172 0.2 2
  177 2.7 27
  185 4 40
  189 3.3 33
  193 0.2 2
  197 2 20
  199 6.7 67
  205 4 40
  206 0.2 2
  209 2.7 27
  213 4.7 47
  215 2 20
  223 0.2 2
  227 12.1 121
  228 4 40
  239 3.3 33
  241 0.31 3
  253 2 20
  270 8.1 81
  271 2 20
//