ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000277
RECORD_TITLE: 3-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$NAME: 3-METHYL-1-BUTANOL
CH$NAME: ISO-AMYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: OCCC(C)C
CH$IUPAC: InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
CH$LINK: INCHIKEY PHTQWCKDNZKARW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3025469

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$SPLASH: splash10-0a4l-9000000000-e1eb02399a8e4a0e1d71
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  15 4.5 45
  19 3.2 32
  26 3.5 35
  27 3.85 39
  28 14.2 142
  29 63.3 633
  30 1.6 16
  31 4.83 48
  32 2 20
  33 1.3 13
  38 2.4 24
  39 2.97 30
  40 5 50
  41 99.99 999
  42 76.5 765
  43 5.76 58
  44 3 30
  45 17.5 175
  46 6.1 61
  47 0.13 1
  50 1.8 18
  51 2.1 21
  53 3.8 38
  54 0.18 2
  55 90.1 901
  56 54.3 543
  57 65.1 651
  58 0.33 3
  59 2.5 25
  60 1.2 12
  69 4.9 49
  70 7.79 78
  71 5.9 59
//