MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005672

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005672
RECORD_TITLE: 3-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$NAME: 3-METHYL-1-BUTANOL
CH$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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9000000000-7c2ce9899425d009c30d
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  27 10.66 107
  28 8.11 81
  29 22.7 227
  31 23.56 236
  39 6.04 60
  40 1.89 19
  41 48.4 484
  42 78.02 780
  43 59.66 597
  44 4.2 42
  45 16.08 161
  46 6.84 68
  47 1.31 13
  53 1.98 20
  54 1.47 15
  55 99.99 999
  56 12.19 122
  57 25.49 255
  58 1.21 12
  69 7.2 72
  70 78.4 784
  71 13.89 139
  87 0.59 6
  88 0.08 1
//