MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001815

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001815
RECORD_TITLE: 3-METHYL-2-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$NAME: 3-METHYL-2-BUTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: CC(C)C(C)O
CH$IUPAC: InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3
CH$LINK: INCHIKEY MXLMTQWGSQIYOW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20862268

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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$SPLASH: splash10-0002-9000000000-44d9d7a94ff7c2651021
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  15 1.03 10
  19 1.27 13
  27 6.22 62
  28 1.15 12
  29 3.26 33
  31 2.11 21
  39 4.23 42
  41 7.55 76
  42 2.17 22
  43 12.44 124
  44 10.75 108
  45 99.99 999
  46 2.17 22
  55 14.86 149
  57 1.09 11
  69 1 10
  71 2.29 23
  73 10.39 104
  88 0.48 5
//