MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001813

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001813
RECORD_TITLE: 3-METHYL-1-BUTANOL; 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

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CH$NAME: 3-METHYL-1-BUTANOL
CH$NAME: ISOPENTYL 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

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AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-9000000000-8f690089412de62c1345
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  15 1.12 11
  19 1.23 12
  27 20.33 203
  28 10.01 100
  29 40.65 407
  31 32.79 328
  39 18.39 184
  40 2.96 30
  41 72.83 728
  42 80.59 806
  43 64.35 644
  44 3.98 40
  45 16.14 161
  46 6.64 66
  53 2.66 27
  55 99.99 999
  56 35.75 358
  57 52.6 526
  58 2.35 24
  69 5.11 51
  70 74.16 742
  71 6.74 67
//