ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004599
RECORD_TITLE: METHYL 9,10-DIHYDROXYOCTADECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 9,10-DIHYDROXYOCTADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₈O₄
CH$EXACT_MASS: 330.27701
CH$SMILES: CCCCCCCCC(O)C(O)CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C19H38O4/c1-3-4-5-6-8-11-14-17(20)18(21)15-12-9-7-10-13-16-19(22)23-2/h17-18,20-21H,3-16H2,1-2H3
CH$LINK: CAS 1115-01-1
CH$LINK: INCHIKEY RITHLQKJQSKUAO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10880895

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-001i-1209000000-33bbbb9ca7780c3a205e
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  67 4.56 46
  69 8.42 84
  70 3.04 30
  71 6.74 67
  73 10.97 110
  79 2.58 26
  81 5.45 55
  83 3.7 37
  85 4.39 44
  113 2.28 23
  123 2.64 26
  143 3.17 32
  147 4.39 44
  148 2.44 24
  149 5.65 57
  155 3.01 30
  165 28.15 282
  166 3.57 36
  187 15.46 155
  188 2.35 24
  190 2.78 28
  223 2.18 22
  263 2.41 24
  281 4.56 46
  289 2.97 30
  295 6.67 67
  297 3.04 30
  303 5.62 56
  307 20.68 207
  308 4.76 48
  309 2.31 23
  311 5.62 56
  313 47.27 473
  314 9.25 93
  317 3.7 37
  327 2.38 24
  329 15.1 151
  330 3.96 40
  331 99.99 999
  332 20.52 205
  333 3.83 38
//