ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006180
RECORD_TITLE: METHYL 2-HYDROXYTETRADECANOATE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: METHYL 2-HYDROXYTETRADECANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₃
CH$EXACT_MASS: 258.21949
CH$SMILES: CCCCCCCCCCCCC(O)C(=O)OC
CH$IUPAC: InChI=1S/C15H30O3/c1-3-4-5-6-7-8-9-10-11-12-13-14(16)15(17)18-2/h14,16H,3-13H2,1-2H3
CH$LINK: INCHIKEY ATFSJSYRBAGGIS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20345900

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4i-0190000000-bbd713a446bbaaa8447e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  82 3.16 32
  83 2.49 25
  84 1.82 18
  85 2.05 21
  95 1.4 14
  97 2.83 28
  98 1.04 10
  101 1.17 12
  103 24.58 246
  111 1.96 20
  183 2.24 22
  185 3.4 34
  207 1.13 11
  208 1.22 12
  209 2.13 21
  227 1.56 16
  240 1.19 12
  241 22.23 222
  242 3.44 34
  257 5.97 60
  258 1.56 16
  259 99.99 999
  260 16.62 166
  261 1.92 19
//