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MassBank Record: JP005509

(2S)-N-TERT-BUTOXYCARBONYL-2-(4-HYDROXY-1-OXOBUTYL)PYRROLIDINE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP005509
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(4-HYDROXY-1-OXOBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H23NO4
CH$EXACT_MASS: 257.16271
CH$SMILES: OCCCC(=O)C([H])(C1)N(CC1)C(=O)OC(C)(C)C
CH$IUPAC: InChI=1S/C13H23NO4/c1-13(2,3)18-12(17)14-8-4-6-10(14)11(16)7-5-9-15/h10,15H,4-9H2,1-3H3/t10-/m0/s1
CH$LINK: INCHIKEY QAUHJCXUPAOFHU-JTQLQIEISA-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$SPLASH: splash10-0229-0900000000-c566fab64af2572062c8
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57 1.52 15
  70 12.58 126
  114 67.72 677
  170 99.99 999
  171 2.44 24
  184 4.04 40
  228 1.98 20
//

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