ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005511
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-HYDROXYBUTYL)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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(4-(1-ETHOXYETHOXY)-1-HYDROXYBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₃₃NO₅
CH$EXACT_MASS: 331.23587
CH$SMILES: CCOC(C)OCCCC(O)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C17H33NO5/c1-6-21-13(2)22-12-8-10-15(19)14-9-7-11-18(14)16(20)23-17(3,4)5/h13-15,19H,6-12H2,1-5H3/t13?,14-,15?/m0/s1
CH$LINK: INCHIKEY NQCFHFIQLPCLSG-SLTAFYQDSA-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$SPLASH: splash10-0229-0900000000-b0fac25d65ce469907f4
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  70 7.26 73
  114 63.55 636
  142 2.12 21
  170 99.99 999
  171 12.37 124
  184 9.44 94
  186 1.05 11
  230 1.91 19
  332 0.38 4
//