ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005473
RECORD_TITLE: (2S,2'S)-N,N'-DI-TERT-BUTOXYCARBONYL-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$NAME: (2S,2'S)-N,N'-DI-TERT-BUTOXYCARBONYL-2,2'-BIPYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₂N₂O₄
CH$EXACT_MASS: 340.23621
CH$SMILES: CC(C)(C)OC(=O)N(C2)C([H])(CC2)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C18H32N2O4/c1-17(2,3)23-15(21)19-11-7-9-13(19)14-10-8-12-20(14)16(22)24-18(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-/m0/s1
CH$LINK: INCHIKEY WAUCFRKIXOASFG-KBPBESRZSA-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$SPLASH: splash10-08fr-7910000000-933e9663196998cee429
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  18 13.1 131
  28 12.5 125
  29 2.4 24
  30 0.19 2
  41 10.2 102
  42 2.1 21
  43 3.5 35
  44 0.21 2
  55 1.9 19
  56 6.3 63
  57 60.9 609
  58 0.41 4
  59 2.4 24
  68 1.5 15
  69 6.2 62
  70 7.12 71
  71 9.6 96
  83 1.9 19
  84 4.1 41
  86 0.18 2
  88 1.8 18
  96 4.8 48
  97 1.5 15
  110 0.26 3
  112 2.6 26
  113 13.8 138
  114 99.99 999
  115 1.98 20
  116 6.5 65
  121 1.5 15
  122 1.6 16
  126 0.19 2
  139 3.3 33
  144 1.8 18
  161 2.6 26
  166 0.17 2
  167 32.7 327
  168 4.4 44
  169 8.3 83
  170 3.82 38
  171 4.4 44
  172 2.1 21
  183 4.9 49
  184 0.49 5
  239 5.3 53
  240 16.6 166
  241 4.4 44
  283 0.27 3
  284 6 60
  285 1 10
  340 15 150
  341 0.47 5
  342 1 10
//