MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008780

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008780
RECORD_TITLE: 3-METHYL-1-PENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UOEH
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYL-1-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: OCCC(C)CC
CH$IUPAC: InChI=1S/C6H14O/c1-3-6(2)4-5-7/h6-7H,3-5H2,1-2H3
CH$LINK: INCHIKEY IWTBVKIGCDZRPL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20862248

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AC$INSTRUMENT: HP 5970
AC$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$SPLASH: splash10-0a4l-9000000000-23b0c8a98b639e229c8a
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  37 0.31 3
  39 17.62 176
  41 68.54 685
  42 3.71 37
  43 61.98 620
  44 5.11 51
  45 9.68 97
  46 3.17 32
  50 0.61 6
  51 1.43 14
  52 0.14 1
  53 3.67 37
  55 49.6 496
  56 99.99 999
  57 26.19 262
  58 0.43 4
  59 2.11 21
  63 0.61 6
  67 1.27 13
  69 43.89 439
  70 2.46 25
  71 3.62 36
  72 0.27 3
  73 0.87 9
  74 0.68 7
  83 0.81 8
  84 11.01 110
  85 1.04 10
//