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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004283

3-PENTANOL; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

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

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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

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
//

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