ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000279
RECORD_TITLE: 2-METHYL-1-BUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYL-1-BUTANOL
CH$NAME: ACTIVE AMYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCC(C)CO
CH$IUPAC: InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY QPRQEDXDYOZYLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027069

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4l-9000000000-4710deb4dee4bfd03754
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  15 2.8 28
  19 1.2 12
  26 3.1 31
  27 2.76 28
  28 7.2 72
  29 76.8 768
  30 2.2 22
  31 4.08 41
  33 2.1 21
  38 1.8 18
  39 20.5 205
  40 0.31 3
  41 99.6 996
  42 17.8 178
  43 13.7 137
  45 0.75 8
  50 1.5 15
  51 2 20
  52 1.5 15
  53 0.31 3
  55 28.2 282
  56 96.1 961
  57 99.99 999
  58 0.46 5
  59 3.8 38
  69 1.3 13
  70 46.6 466
  71 3.8 38
//