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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
  59 4.1 41
  72 3.7 37
  82 0.25 3
  83 8.3 83
  84 3.1 31
  90 7.2 72
  95 0.22 2
  99 4.8 48
  100 10.4 104
  101 4.8 48
  102 0.21 2
  103 4.2 42
  111 2.8 28
  113 2.8 28
  114 1.12 11
  115 2.5 25
  116 48 480
  118 4.2 42
  132 1.6 16
  145 9.3 93
  147 2.4 24
  160 21.6 216
  173 0.24 2
  174 2.1 21
  176 15.2 152
  177 2.4 24
  216 99.99 999
  217 13.6 136
  218 3.2 32
  232 13.6 136
  233 0.17 2
  247 10.3 103
//

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