ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005506
RECORD_TITLE: (2S)-N-CARBOBENZOXY-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$NAME: (2S)-N-CARBOBENZOXY-2-(4-(1-ETHOXYETHOXY)-1-OXOBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₉NO₅
CH$EXACT_MASS: 363.20457
CH$SMILES: CCOC(C)OCCCC(=O)C([H])(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C20H29NO5/c1-3-24-16(2)25-14-8-12-19(22)18-11-7-13-21(18)20(23)26-15-17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3/t16?,18-/m0/s1
CH$LINK: INCHIKEY YWVPRAFNXRNGAE-DAFXYXGESA-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$SPLASH: splash10-0ir3-9640000000-c6914d3f6c5d9f60406e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  45 17.7 177
  70 1.34 13
  73 85.84 858
  79 1.53 15
  83 6.52 65
  87 1.79 18
  91 99.99 999
  101 19.08 191
  107 3.58 36
  108 14.31 143
  151 2.24 22
  160 95.98 960
  161 11.81 118
  204 84.61 846
  205 6.67 67
  222 9.54 95
  230 9.54 95
  303 2.38 24
//