MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005671

2-METHYL-1-BUTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005671
RECORD_TITLE: 2-METHYL-1-BUTANOL; 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

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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$LINK: INCHIKEY QPRQEDXDYOZYLA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027069

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0a4i-9000000000-7171709ce52ea140418d
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 5.83 58
  28 3.05 31
  29 48.25 483
  30 1.38 14
  31 23.36 234
  33 1.16 12
  39 5.48 55
  40 1.36 14
  41 70.66 707
  42 16.82 168
  43 15.03 150
  45 7.03 70
  53 1.37 14
  55 29.96 300
  56 92.46 925
  57 99.99 999
  58 4.87 49
  59 3.88 39
  69 2.1 21
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  71 11.69 117
  87 0.77 8
  88 0.35 4
//