ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006134
RECORD_TITLE: METHYL DECANOATE; EI-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: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00dr-9000000000-6e2287350d21d8862470
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  29 2.58 26
  41 4.64 46
  42 1.15 12
  43 17.18 172
  55 8.26 83
  56 1.91 19
  57 6.47 65
  59 5.06 51
  69 6.35 64
  70 1.08 11
  71 3.4 34
  73 1.41 14
  74 99.99 999
  75 12.56 126
  83 2.85 29
  84 3.12 31
  85 1.5 15
  87 51.93 519
  88 5.19 52
  97 1.69 17
  98 1.85 19
  101 5.18 52
  115 1.24 12
  129 2.81 28
  143 8.58 86
  155 4.2 42
  157 1.17 12
  186 1.5 15
  187 0.3 3
//