ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003341
RECORD_TITLE: METHYL STEARATE; 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$NAME: METHYL STEARATE
CH$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$LINK: INCHIKEY HPEUJPJOZXNMSJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2047640

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dr-9100000000-e33d3c888348ee4595da
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  54 44 440
  55 8.4 84
  56 31.1 311
  58 7.8 78
  67 6 60
  69 22.6 226
  71 10.5 105
  74 99.99 999
  75 37.6 376
  81 4 40
  83 12.9 129
  84 0.49 5
  85 5 50
  87 85.3 853
  88 7.7 77
  95 0.33 3
  97 8.9 89
  98 6.7 67
  101 8.2 82
  111 0.38 4
  115 3 30
  129 8 80
  143 23.9 239
  157 0.33 3
  185 9.9 99
  213 3.1 31
  241 2.7 27
  255 1.26 13
  267 7.8 78
  269 2.4 24
  270 2.4 24
  298 5.8 58
  299 17.8 178
  300 2.6 26
//