ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002427
RECORD_TITLE: (3R)-4-(METHOXYMETHYL-THIO)-3-(N-METHOXYMETHYL-N-TOSYL)AMINOBUTAN-2-ONE; 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$NAME: (3R)-4-(METHOXYMETHYL-THIO)-3-(N-METHOXYMETHYL-N-TOSYL)AMINOBUTAN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₃NO₅S₂
CH$EXACT_MASS: 361.10176
CH$SMILES: COCSCC([H])(C(C)=O)N(COC)S(=O)(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C15H23NO5S2/c1-12-5-7-14(8-6-12)23(18,19)16(10-20-3)15(13(2)17)9-22-11-21-4/h5-8,15H,9-11H2,1-4H3/t15-/m0/s1
CH$LINK: INCHIKEY WUUHDLJAUOYTGW-HNNXBMFYSA-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 11 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00ou-1294000000-763cfa3527254ae5c35c
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  42 11.4 114
  45 2.3 23
  46 5.4 54
  58 1.02 10
  70 5.8 58
  72 6.8 68
  91 3.2 32
  96 0.25 3
  97 2.6 26
  100 4.2 42
  104 2.6 26
  124 0.75 8
  128 43.8 438
  129 2.1 21
  131 2.1 21
  134 0.56 6
  139 1.9 19
  146 1.9 19
  155 3.5 35
  162 0.44 4
  190 2.1 21
  227 3.2 32
  228 99.99 999
  229 0.35 4
  237 1.8 18
  241 1.8 18
  242 69.5 695
  243 0.28 3
  245 2.3 23
  286 63.8 638
  287 3.2 32
  288 0.28 3
  317 2.6 26
  318 96.2 962
  319 23.8 238
  320 3.14 31
  321 5.4 54
  330 2.1 21
  361 0.4 4
//