ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005474
RECORD_TITLE: MESO-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$NAME: MESO-N,N'-DI-TERT-BUTOXYCARBONYL-2,2'-BIPYRROLIDINE
CH$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+
CH$LINK: INCHIKEY WAUCFRKIXOASFG-OKILXGFUSA-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$SPLASH: splash10-08mi-8910000000-33935a88b555cbeffada
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  18 14.5 145
  28 13.5 135
  32 3.6 36
  39 0.17 2
  41 4.6 46
  43 2.8 28
  55 1.4 14
  56 0.28 3
  57 55.8 558
  58 2.8 28
  68 1.5 15
  69 0.32 3
  70 68.1 681
  71 7.3 73
  83 1.7 17
  89 0.13 1
  96 3.4 34
  110 1.9 19
  113 9.4 94
  114 99.99 999
  115 14 140
  116 4.2 42
  167 19.3 193
  168 0.23 2
  169 5.2 52
  170 22.9 229
  171 2.8 28
  183 0.38 4
  184 4.8 48
  227 2 20
  239 10.6 106
  240 2.7 27
  241 4.2 42
  283 4.3 43
  284 4.3 43
  285 0.15 2
  340 10.9 109
  341 3.8 38
//