ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005510
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-OXOBUTYL)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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-OXOBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₁NO₅
CH$EXACT_MASS: 329.22022
CH$SMILES: CCOC(C)OCCCC(=O)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C17H31NO5/c1-6-21-13(2)22-12-8-10-15(19)14-9-7-11-18(14)16(20)23-17(3,4)5/h13-14H,6-12H2,1-5H3/t13?,14-/m0/s1
CH$LINK: INCHIKEY IGHNBAVKLAITMJ-KZUDCZAMSA-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 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0229-2900000000-4f4f709b396463050401
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57 7.12 71
  70 48.52 485
  114 99.99 999
  115 2.08 21
  140 2.73 27
  170 85.23 852
  171 3.77 38
  184 2.26 23
  240 0.68 7
//