ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006212
RECORD_TITLE: METHYL DECANOATE; 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$NAME: METHYL DECANOATE
CH$NAME: METHYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₂O₂
CH$EXACT_MASS: 186.16198
CH$SMILES: CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H22O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY YRHYCMZPEVDGFQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4026842

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$SPLASH: splash10-000i-0900000000-0ef5d8592afad4041e91
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  74 2.69 27
  87 8.32 83
  101 1.11 11
  135 1.01 10
  144 2.51 25
  153 5.58 56
  155 5.18 52
  185 5.12 51
  186 3.26 33
  187 99.99 999
  188 12.45 125
  189 1.19 12
//