ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005501
RECORD_TITLE: (2S,2'S)-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$NAME: (2S,2'S)-N,N'-DICARBOBENZOXY-2,2'-BIPYRROLIDINE
CH$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-/m0/s1
CH$LINK: INCHIKEY PSKCDXYJPNXJRM-VXKWHMMOSA-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$SPLASH: splash10-0ir3-5690000000-d88adddee73d076b89a8
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  28 5.48 55
  57 1.16 12
  70 2.43 24
  91 85 850
  92 8 80
  149 1.54 15
  159 4.33 43
  160 99.99 999
  161 10.52 105
  167 2.31 23
  203 19.51 195
  204 57 570
  205 10.02 100
  206 8.06 81
  257 1.6 16
  273 56.1 561
  274 14.2 142
  275 1.63 16
  408 10.08 101
  409 3.71 37
//