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MassBank Record: JP005478

N-(2-METHYL-1-PHENYLTHIOPROPYL)PYRROLIDINE; EI-B; MS

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

ACCESSION: JP005478
RECORD_TITLE: N-(2-METHYL-1-PHENYLTHIOPROPYL)PYRROLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA

CH$NAME: N-(2-METHYL-1-PHENYLTHIOPROPYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H21NS
CH$EXACT_MASS: 235.13947
CH$SMILES: CC(C)C(Sc(c2)cccc2)N(C1)CCC1
CH$IUPAC: InChI=1S/C14H21NS/c1-12(2)14(15-10-6-7-11-15)16-13-8-4-3-5-9-13/h3-5,8-9,12,14H,6-7,10-11H2,1-2H3
CH$LINK: INCHIKEY OQKUTWOEXVFICW-UHFFFAOYSA-N

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 25 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01t9-1900000000-d31a7466baf2fdd632b3
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  18 3.26 33
  43 6.47 65
  66 12.82 128
  72 13.05 131
  84 4.78 48
  96 8.1 81
  110 99.99 999
  125 56.35 564
  126 72.26 723
//

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