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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002463

(4R)-3-(TERT-BUTOXYCARBONYL)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002463
RECORD_TITLE: (4R)-3-(TERT-BUTOXYCARBONYL)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: (4R)-3-(TERT-BUTOXYCARBONYL)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE
CH$NAME: TERT-BUTYL (4R)-4-HYDROXYMETHYL-2,2-DIMETHYL-1,3-THIAZOLIDINE-3-CARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H21NO3S
CH$EXACT_MASS: 247.12421
CH$SMILES: OCC([H])(C1)N(C(=O)OC(C)(C)C)C(C)(C)S1
CH$IUPAC: InChI=1S/C11H21NO3S/c1-10(2,3)15-9(14)12-8(6-13)7-16-11(12,4)5/h8,13H,6-7H2,1-5H3/t8-/m1/s1
CH$LINK: INCHIKEY SCBRLOVJYLTKIS-MRVPVSSYSA-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 13.5 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-066r-9660000000-c658cd73c64d26b23ebc
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  41 16.8 168
  42 6.7 67
  56 93.6 936
  57 6.4 64
  58 46.4 464
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  116 48 480
  118 4.2 42
  132 1.6 16
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  147 2.4 24
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  217 13.6 136
  218 3.2 32
  232 13.6 136
  233 0.17 2
  247 10.3 103
//

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