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MassBank Record: JP009971

S-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYLMETHYL)THIOACETATE; EI-B; MS

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

ACCESSION: JP009971
RECORD_TITLE: S-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYLMETHYL)THIOACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: S-(2,5-DIACETOXY-3,4,6-TRIMETHYL-PHENYLMETHYL)THIOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H20O5S
CH$EXACT_MASS: 324.10314
CH$SMILES: CC(=O)SCc(c(C)1)c(OC(C)=O)c(C)c(C)c(OC(C)=O)1
CH$IUPAC: InChI=1S/C16H20O5S/c1-8-9(2)16(21-12(5)18)14(7-22-13(6)19)10(3)15(8)20-11(4)17/h7H2,1-6H3
CH$LINK: INCHIKEY TWCQSTWNXKQUGO-UHFFFAOYSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-01ox-2950000000-1146c973cf15c6acf4c7
PK$NUM_PEAK: 49
PK$PEAK: m/z int. rel.int.
  39 0.9 9
  41 0.6 6
  43 46.6 466
  53 0.33 3
  54 0.2 2
  65 0.5 5
  67 1.4 14
  77 0.14 1
  79 1.3 13
  85 0.2 2
  91 4.2 42
  93 0.05 1
  105 0.6 6
  107 2.7 27
  119 0.2 2
  121 0.56 6
  122 1.3 13
  134 0.3 3
  135 4.7 47
  136 0.51 5
  137 1.4 14
  151 2.3 23
  152 1.3 13
  153 0.13 1
  163 2.8 28
  164 99.99 999
  165 46.4 464
  166 0.59 6
  179 0.5 5
  180 0.2 2
  181 0.9 9
  195 0.19 2
  196 1.6 16
  197 14.2 142
  198 35.3 353
  199 0.45 5
  200 1.6 16
  205 0.2 2
  206 0.5 5
  207 1.36 14
  208 1.4 14
  239 2.2 22
  240 74.2 742
  241 1.05 11
  242 3.9 39
  282 42.7 427
  283 6.7 67
  284 0.23 2
  324 4.7 47
//

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