ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005502
RECORD_TITLE: (2S,2'R)-N,N'-DICARBOBENZOXY-2,2'-BIPYRROLIDINE; 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$NAME: (2S,2'R)-N,N'-DICARBOBENZOXY-2,2'-BIPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₂₈N₂O₄
CH$EXACT_MASS: 408.20491
CH$SMILES: c(c4)ccc(c4)COC(=O)N(C3)C([H])(CC3)C([H])(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C24H28N2O4/c27-23(29-17-19-9-3-1-4-10-19)25-15-7-13-21(25)22-14-8-16-26(22)24(28)30-18-20-11-5-2-6-12-20/h1-6,9-12,21-22H,7-8,13-18H2/t21-,22+
CH$LINK: INCHIKEY PSKCDXYJPNXJRM-SZPZYZBQSA-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$SPLASH: splash10-0ik9-6890100000-a5caa92a24c1ad14f820
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  28 2.73 27
  49 1.58 16
  69 1.79 18
  70 4.02 40
  84 11.53 115
  86 8.52 85
  91 52 520
  92 9.38 94
  159 4.3 43
  160 99.99 999
  161 13.12 131
  162 1.01 10
  167 2.98 30
  203 14.47 145
  204 51.1 511
  205 7.39 74
  206 5.16 52
  273 37 370
  274 7.44 74
  275 1.02 10
  316 1.27 13
  408 12.4 124
  409 4.07 41
  410 1.02 10
//