ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006250
RECORD_TITLE: METHYL STEARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: METHYL STEARATE
CH$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: CAS 112-61-8
CH$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047640

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00du-9120000000-8de4d0b66a666bceb8d7
PK$NUM_PEAK: 64
PK$PEAK: m/z int. rel.int.
  39 1.1 11
  40 0.4 4
  41 15.59 156
  42 3.33 33
  43 20.96 210
  44 0.62 6
  54 0.96 10
  55 13.45 135
  56 3.8 38
  57 15.01 150
  58 0.79 8
  59 3.64 36
  67 1.85 19
  68 1.12 11
  69 9.97 100
  70 2.45 25
  71 6.4 64
  72 0.4 4
  73 1.41 14
  74 99.99 999
  75 33.83 338
  76 1.58 16
  81 1.67 17
  82 1.05 11
  83 7.56 76
  84 3.55 36
  85 3.51 35
  87 79.39 794
  88 6.65 67
  89 0.54 5
  95 1.65 17
  96 0.94 9
  97 6.35 64
  98 3.45 35
  99 0.8 8
  101 6.53 65
  102 0.71 7
  111 2.8 28
  112 0.91 9
  115 2.35 24
  116 1.33 13
  129 7.55 76
  130 2.33 23
  143 20.85 209
  144 2.13 21
  157 2.21 22
  171 1.11 11
  185 3.07 31
  186 0.73 7
  199 7.21 72
  200 1.19 12
  213 2.56 26
  214 0.47 5
  241 1.89 19
  242 0.56 6
  255 12.18 122
  256 2.26 23
  267 6.95 70
  268 1.35 14
  269 2.42 24
  270 0.52 5
  298 41.84 418
  299 9.34 93
  300 1.17 12
//