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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001524

SEC-BUTYL ACETATE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001524
RECORD_TITLE: SEC-BUTYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: SEC-BUTYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O2
CH$EXACT_MASS: 116.08373
CH$SMILES: CCC(C)OC(C)=O
CH$IUPAC: InChI=1S/C6H12O2/c1-4-5(2)8-6(3)7/h5H,4H2,1-3H3
CH$LINK: INCHIKEY DCKVNWZUADLDEH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047612

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-fe9fbf0a38e9d2dfce0a
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 4.92 49
  27 5.44 54
  28 2.28 23
  29 8.55 86
  31 1.14 11
  39 3.11 31
  41 11.45 115
  42 1.71 17
  43 99.99 999
  44 2.69 27
  45 3.26 33
  55 2.43 24
  56 20.41 204
  57 6.56 66
  61 4.56 46
  72 1.24 12
  73 5.49 55
  87 16.58 166
  101 3.21 32
  116 0.62 6
//

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