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MassBank Record: JP005469

(2S)-N-TERT-BUTOXYCARBONYL-2-(1,4-DIMETHANESULFONYLOXYBUTYL)PYRROLIDINE; EI-B; MS

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

ACCESSION: JP005469
RECORD_TITLE: (2S)-N-TERT-BUTOXYCARBONYL-2-(1,4-DIMETHANESULFONYLOXYBUTYL)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$NAME: (2S)-N-TERT-BUTOXYCARBONYL-2-(1,4-DIMETHANESULFONYLOXYBUTYL)PYRROLIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H29NO8S2
CH$EXACT_MASS: 415.13346
CH$SMILES: CC(C)(C)OC(=O)N(C1)C([H])(CC1)C(CCCOS(C)(=O)=O)OS(C)(=O)=O
CH$IUPAC: InChI=1S/C15H29NO8S2/c1-15(2,3)23-14(17)16-10-6-8-12(16)13(24-26(5,20)21)9-7-11-22-25(4,18)19/h12-13H,6-11H2,1-5H3/t12-,13?/m0/s1
CH$LINK: INCHIKEY OCKVMNKHRCFGTJ-UEWDXFNNSA-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$SPLASH: splash10-05fr-8900000000-3b9fc4e4acfa928e41ec
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  55 1.3 13
  56 77.9 779
  57 8.6 86
  59 0.12 1
  69 2.5 25
  70 27.6 276
  71 2.1 21
  96 0.65 7
  97 1 10
  114 16.1 161
  115 2.2 22
  122 0.1 1
  123 1.4 14
  124 1 10
  137 2.5 25
  140 1.1 11
  141 1.1 11
  167 1.6 16
  168 2.4 24
  169 0.1 1
  170 99.99 999
  171 1 10
  184 5.5 55
  219 0.58 6
  220 2.2 22
  236 2 20
  263 1.5 15
  264 0.76 8
  265 1 10
  316 1.4 14
  336 1.8 18
  342 0.29 3
  360 4.5 45
  415 1.4 14
//

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