MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004283

3-PENTANOL; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004283
RECORD_TITLE: 3-PENTANOL; 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$NAME: 3-PENTANOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₁₂O
CH$EXACT_MASS: 88.08882
CH$SMILES: CCC(O)CC
CH$IUPAC: InChI=1S/C5H12O/c1-3-5(6)4-2/h5-6H,3-4H2,1-2H3
CH$LINK: CAS 584-02-1
CH$LINK: INCHIKEY AQIXEPGDORPWBJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8060400

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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$SPLASH: splash10-0a4i-9000000000-4fe4550a20db23d97781
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  26 1.21 12
  27 9.24 92
  28 2.87 29
  29 12.1 121
  31 45.86 459
  39 5.03 50
  41 35.16 352
  42 3.63 36
  43 6.69 67
  45 2.93 29
  55 3.18 32
  57 7.71 77
  58 6.43 64
  59 99.99 999
  60 4.46 45
  71 1.27 13
//