ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005503
RECORD_TITLE: (2S)-N-CARBOBENZOXY-2-(PYRROLIDINE-2-YL)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$NAME: (2S)-N-CARBOBENZOXY-2-(PYRROLIDINE-2-YL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂N₂O₂
CH$EXACT_MASS: 274.16813
CH$SMILES: c(c3)ccc(c3)COC(=O)N(C2)C([H])(CC2)C(C1)NCC1
CH$IUPAC: InChI=1S/C16H22N2O2/c19-16(20-12-13-6-2-1-3-7-13)18-11-5-9-15(18)14-8-4-10-17-14/h1-3,6-7,14-15,17H,4-5,8-12H2/t14?,15-/m0/s1
CH$LINK: INCHIKEY OAZZHYPVMWRACG-LOACHALJSA-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$SPLASH: splash10-00di-9000000000-d3476061754c419dec45
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  69 1.6 16
  70 99.99 999
  71 1.09 11
  91 6.69 67
  274 0.28 3
  275 0.29 3
//