ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006139
RECORD_TITLE: PENTYL 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$NAME: PENTYL DECANOATE
CH$NAME: PENTYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCCCC
CH$IUPAC: InChI=1S/C15H30O2/c1-3-5-7-8-9-10-11-13-15(16)17-14-12-6-4-2/h3-14H2,1-2H3
CH$LINK: INCHIKEY BGYFCELTJPRWBA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00208064

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$SPLASH: splash10-00di-9100000000-169a34b3f10b5c4c1b52
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  29 1.97 20
  41 3.32 33
  42 9.57 96
  43 35.77 358
  44 1.09 11
  55 10.17 102
  56 1.54 15
  57 10.54 105
  60 14.75 148
  61 16.6 166
  69 7.41 74
  70 99.99 999
  71 23.39 234
  72 1.25 13
  73 12.91 129
  74 1.4 14
  81 1.49 15
  83 2.38 24
  84 2.57 26
  85 3.87 39
  87 3.46 35
  89 1.46 15
  95 1.55 16
  97 1.47 15
  98 1.98 20
  101 1.36 14
  102 1.76 18
  103 1.1 11
  115 3.64 36
  129 5.17 52
  130 3.62 36
  143 1.85 19
  155 10.66 107
  156 1.16 12
  172 2.33 23
  173 20.43 204
  174 2.06 21
  199 0.42 4
  242 0.38 4
//