MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006140

ISOPENTYL DECANOATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006140
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL DECANOATE
CH$NAME: ISOPENTYL CAPRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₃₀O₂
CH$EXACT_MASS: 242.22458
CH$SMILES: CCCCCCCCCC(=O)OCCC(C)C
CH$IUPAC: InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-15(16)17-13-12-14(2)3/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY XDOGFYDZGUDBQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7062320

---

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$SPLASH: splash10-00di-9000000000-8e85dfbed007816b0393
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 1.63 16
  42 3.11 31
  43 20.45 205
  55 8.32 83
  57 4.18 42
  60 1.73 17
  61 1.24 12
  69 2.48 25
  70 99.99 999
  71 30.69 307
  72 1.39 14
  73 2.2 22
  84 1.12 11
  85 1.91 19
  115 1.24 12
  129 1.22 12
  155 4.99 50
  172 1.03 10
  173 2.05 21
  242 0.1 1
//