MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008409

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

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008409
RECORD_TITLE: 3-METHYL-2-PENTANOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHYL-2-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₄O
CH$EXACT_MASS: 102.10447
CH$SMILES: CCC(C)C(C)O
CH$IUPAC: InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3
CH$LINK: INCHIKEY ZXNBBWHRUSXUFZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80862204

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AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0002-9000000000-a0bd2864076bd1b44d90
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  15 1.32 13
  27 9.52 95
  28 1.73 17
  29 10.52 105
  31 1.88 19
  39 5.58 56
  41 14.82 148
  42 1.39 14
  43 7.78 78
  44 10.47 105
  45 99.99 999
  46 2.72 27
  55 3.72 37
  56 16.39 164
  57 5.35 54
  69 4.71 47
  87 3.07 31
//