ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007714
RECORD_TITLE: METHYL OCTADECANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL OCTADECANOATE
CH$NAME: METHYL STEARATE
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$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-05fu-9000000000-71ef3d29b74452696ed8
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  40 1.2 12
  41 47.4 474
  42 10 100
  43 6.9 69
  44 5.7 57
  45 2 20
  53 1.8 18
  54 0.26 3
  55 33.2 332
  56 6.5 65
  57 23.7 237
  58 0.18 2
  59 10.2 102
  67 3.1 31
  68 1.7 17
  69 1.41 14
  70 2.7 27
  71 6.4 64
  73 2.5 25
  74 99.99 999
  75 21.2 212
  76 1.1 11
  81 2.1 21
  82 0.12 1
  83 7.3 73
  84 3 30
  85 2.9 29
  87 5.74 57
  88 4.6 46
  95 1.5 15
  96 0.8 8
  97 0.51 5
  98 2.1 21
  101 3.9 39
  111 1.7 17
  115 0.13 1
  116 0.7 7
  129 3.1 31
  130 0.7 7
  143 0.76 8
  144 0.9 9
  157 1 10
  171 0.5 5
  185 0.12 1
  199 2.3 23
  200 0.5 5
  213 0.9 9
  241 0.08 1
  255 3.3 33
  267 1.1 11
  269 0.6 6
  298 0.34 3
  299 0.7 7
//