ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007115
RECORD_TITLE: 2-METHYLBUTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 2-METHYLBUTANOL
CH$NAME: 2-METHYL-1-BUTANOL
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: CAS 137-32-6
CH$LINK: INCHIKEY QPRQEDXDYOZYLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027069

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$SPLASH: splash10-0a4i-9000000000-69d3eb6fa5d3cbace4d2
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  15 2.88 29
  26 4.01 40
  27 31.09 311
  28 7.21 72
  29 74.93 749
  30 2.33 23
  31 45.93 459
  33 1.21 12
  38 2.03 20
  39 25.12 251
  40 3.51 35
  41 93.23 932
  43 14.51 145
  45 6.88 69
  50 1.35 14
  51 1.68 17
  53 2.95 30
  55 28.31 283
  56 91.97 920
  57 99.99 999
  58 5.5 55
  59 3.88 39
  69 1.03 10
  70 42.72 427
  71 2.74 27
//