MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005680

3-METHYL-3-PENTANOL; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005680
RECORD_TITLE: 3-METHYL-3-PENTANOL; 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$NAME: 3-METHYL-3-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(C)(O)CC
CH$IUPAC: InChI=1S/C6H14O/c1-4-6(3,7)5-2/h7H,4-5H2,1-3H3
CH$LINK: INCHIKEY FRDAATYAJDYRNW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021755

---

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$SPLASH: splash10-00di-9000000000-664e756237ea309e4aea
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41 1.09 11
  43 3.62 36
  45 4.72 47
  55 12.54 125
  57 1.47 15
  69 3.46 35
  73 99.99 999
  74 4.47 45
  85 6.1 61
  87 19.88 199
  88 1.24 12
//