ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005505
RECORD_TITLE: (2S)-N-CARBOBENZOXY-2-(4-HYDROXY-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$NAME: (2S)-N-CARBOBENZOXY-2-(4-HYDROXY-1-OXOBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₁NO₄
CH$EXACT_MASS: 291.14706
CH$SMILES: OCCCC(=O)C([H])(C2)N(CC2)C(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C16H21NO4/c18-11-5-9-15(19)14-8-4-10-17(14)16(20)21-12-13-6-2-1-3-7-13/h1-3,6-7,14,18H,4-5,8-12H2/t14-/m0/s1
CH$LINK: INCHIKEY CFIYJVYPVKPPJX-AWEZNQCLSA-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$SPLASH: splash10-0006-9210000000-7254660d5f4d48a45867
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  70 1.34 13
  91 99.99 999
  92 2.21 22
  114 1.09 11
  160 22.57 226
  204 19.62 196
  291 0.13 1
//