MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006850

2-ETHYLBUTANOL; EI-B; MS

---

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006850
RECORD_TITLE: 2-ETHYLBUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

---

CH$NAME: 2-ETHYLBUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(CC)CO
CH$IUPAC: InChI=1S/C6H14O/c1-3-6(4-2)5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY TZYRSLHNPKPEFV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2041416

---

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$SPLASH: splash10-006x-9000000000-af0e2670bbe080074792
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  15 1.13 11
  26 1.28 13
  27 19.35 194
  28 1.22 12
  29 22.94 229
  31 17.76 178
  39 12.9 129
  40 1.31 13
  41 27.62 276
  42 11.53 115
  43 99.99 999
  44 3.84 38
  45 2.33 23
  53 2.56 26
  54 1.17 12
  55 32.46 325
  56 12.75 128
  57 4.63 46
  69 9.89 99
  70 42.88 429
  71 35.62 356
  72 1.91 19
  84 12.18 122
//