ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002661
RECORD_TITLE: METHYL OCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL OCTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₂
CH$EXACT_MASS: 298.28718
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3
CH$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047640

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$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$SPLASH: splash10-000i-9140000000-9c8fe8a8792848c128b9
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  43 1.3 13
  55 6.3 63
  56 1.3 13
  57 0.55 6
  59 2.3 23
  67 1.8 18
  68 1 10
  69 1.06 11
  70 1.8 18
  71 5.7 57
  73 1.5 15
  74 9.51 95
  75 18.7 187
  82 1.5 15
  83 10.4 104
  84 4.5 45
  85 0.44 4
  87 99.99 999
  88 0.83 8
  95 3.5 35
  96 1.7 17
  97 11.2 112
  98 0.57 6
  99 1.6 16
  101 10.7 107
  109 2.6 26
  110 1.1 11
  111 6.5 65
  112 0.18 2
  113 1 10
  115 5.2 52
  116 2.3 23
  121 0.16 2
  123 1.8 18
  137 1 10
  144 5.2 52
  158 1 10
  186 2.3 23
  200 3.5 35
  213 9 90
  214 0.12 1
  241 6.2 62
  242 1.3 13
  255 32.8 328
  256 0.61 6
  269 7.1 71
  270 1.4 14
  298 30.9 309
  299 0.67 7
  300 0.6 6
//