ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005479
RECORD_TITLE: N-(2,2-DIMETHYL-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$NAME: N-(2,2-DIMETHYL-1-PHENYLTHIOPROPYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₃NS
CH$EXACT_MASS: 249.15512
CH$SMILES: c(c2)ccc(c2)SC(N(C1)CCC1)C(C)(C)C
CH$IUPAC: InChI=1S/C15H23NS/c1-15(2,3)14(16-11-7-8-12-16)17-13-9-5-4-6-10-13/h4-6,9-10,14H,7-8,11-12H2,1-3H3
CH$LINK: INCHIKEY AZWMRNXAUKMORD-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$SPLASH: splash10-03ec-4900000000-602149daf2590ab9783f
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  18 20.94 209
  66 20 200
  82 85.69 857
  84 5.5 55
  109 15 150
  110 99.99 999
  139 22.44 224
  140 97 970
  141 3.88 39
//