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MassBank Record: JP009093

S-PROPYL THIOBENZOATE; EI-B; MS

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

ACCESSION: JP009093
RECORD_TITLE: S-PROPYL THIOBENZOATE; 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

CH$NAME: S-PROPYL THIOBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12OS
CH$EXACT_MASS: 180.06089
CH$SMILES: CCCSC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H12OS/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
CH$LINK: INCHIKEY YPACPXJQEYROHD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60960010

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-5900000000-44a35b8b0ea75df1cfe6
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  27 3.15 32
  39 2.62 26
  41 2.65 27
  45 1.59 16
  47 1.28 13
  50 2.95 30
  51 14.63 146
  75 1 10
  76 1.44 14
  77 39.79 398
  78 2.56 26
  105 99.99 999
  106 8.05 81
  180 5.73 57
//

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