ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007105
RECORD_TITLE: METHYL STEARATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-059f-9000000000-7bd9ba6fa57c2802c608
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  15 2.47 25
  27 5.94 59
  39 4.68 47
  41 46.02 460
  42 8.79 88
  43 57.95 580
  53 1.97 20
  54 2.5 25
  55 36.91 369
  56 6.66 67
  57 25.21 252
  58 1.17 12
  59 14.32 143
  67 3.55 36
  68 2.11 21
  69 18.61 186
  70 3.08 31
  71 6.2 62
  73 3.66 37
  74 99.99 999
  75 19.2 192
  76 1.15 12
  79 1.04 10
  81 3.2 32
  82 1.56 16
  83 10.1 101
  84 2.31 23
  85 3.14 31
  87 62.11 621
  88 5 50
  95 1.71 17
  96 1.02 10
  97 5.61 56
  98 2.6 26
  99 1.03 10
  101 4.33 43
  109 1.02 10
  111 2.53 25
  115 1.71 17
  116 1.03 10
  125 1.15 12
  129 4.75 48
  130 1.09 11
  143 11.52 115
  144 1.44 14
  157 1.57 16
  185 1.65 17
  199 4.19 42
  213 1.32 13
  255 5.95 60
  256 1.29 13
  267 2.97 30
  269 1.48 15
  298 11.44 114
  299 2.56 26
//