MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006399

3-HEXYL PROPIONATE; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006399
RECORD_TITLE: 3-HEXYL PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA

---

CH$NAME: 3-HEXYL PROPIONATE
CH$NAME: 1-ETHYLBUTYL PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₈O₂
CH$EXACT_MASS: 158.13068
CH$SMILES: CCCC(CC)OC(=O)CC
CH$IUPAC: InChI=1S/C9H18O2/c1-4-7-8(5-2)11-9(10)6-3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY GYZCKXAOGZSSCT-UHFFFAOYSA-N

---

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

---

MS$FOCUSED_ION: ION_TYPE [M]+*

---

PK$SPLASH: splash10-0a4i-9000000000-76336a6cc5a31dc3ccab
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  27 9.02 90
  28 4.57 46
  29 23.84 238
  31 1.26 13
  39 3.17 32
  41 8.64 86
  42 3.85 39
  43 15.92 159
  44 1.46 15
  55 6.8 68
  56 6.52 65
  57 99.99 999
  58 3.8 38
  59 1.2 12
  69 2.99 30
  71 1.94 19
  75 3.08 31
  84 7.24 72
  85 5.65 57
  115 6.72 67
  129 4.29 43
//