ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005507
RECORD_TITLE: (2S)-N-CARBOBENZOXY-2-(1-OXO-4-(2'-TETRAHYDROPYRANYLOXY)BUTYL)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$NAME: (2S)-N-CARBOBENZOXY-2-(1-OXO-4-(2'-TETRAHYDROPYRANYLOXY)BUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₉NO₅
CH$EXACT_MASS: 375.20457
CH$SMILES: C(C3)COC(C3)OCCCC(=O)C([H])(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C21H29NO5/c23-19(11-7-15-26-20-12-4-5-14-25-20)18-10-6-13-22(18)21(24)27-16-17-8-2-1-3-9-17/h1-3,8-9,18,20H,4-7,10-16H2/t18-,20?/m0/s1
CH$LINK: INCHIKEY JNNBLRCTGCPIRL-LROBGIAVSA-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$SPLASH: splash10-0w29-0490000000-d54fdf71e82496e2c70c
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  91 4.43 44
  160 54.4 544
  204 99.99 999
  205 5.19 52
  375 0.13 1
//