ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009965
RECORD_TITLE: 4-(N-(N,N-DIMETHYLCARBAMOYL)AMINO)PHENOXYMETHYL 3-METHYLPHENYL SULFIDE; 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$NAME: 4-(N-(N,N-DIMETHYLCARBAMOYL)AMINO)PHENOXYMETHYL 3-METHYLPHENYL SULFIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20N2O2S
CH$EXACT_MASS: 316.12455
CH$SMILES: CN(C)C(=O)Nc(c1)ccc(OCSc(c2)cc(C)cc2)c1
CH$IUPAC: InChI=1S/C17H20N2O2S/c1-13-5-4-6-16(11-13)22-12-21-15-9-7-14(8-10-15)18-17(20)19(2)3/h4-11H,12H2,1-3H3,(H,18,20)
CH$LINK: INCHIKEY UFVWOSHVXSRPKE-UHFFFAOYSA-N
AC$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: splash10-000i-4901000000-2fb5c0099b44ed5a44f6
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  28 1.2 12
  39 1.4 14
  41 0.3 3
  42 0.08 1
  43 0.6 6
  44 5.8 58
  45 13.5 135
  46 0.01 0
  47 0.2 2
  51 0.4 4
  52 0.1 1
  53 0.02 0
  59 0.2 2
  63 1 10
  64 0.6 6
  65 0.26 3
  66 0.1 1
  67 0.1 1
  72 24 240
  73 0.05 1
  77 1.8 18
  78 0.4 4
  79 0.5 5
  89 0.05 1
  90 1.8 18
  91 6.2 62
  92 0.6 6
  93 0.33 3
  98 0.5 5
  103 0.1 1
  104 0.3 3
  105 0.01 0
  106 0.1 1
  107 0.1 1
  108 0.1 1
  118 0.04 0
  119 0.1 1
  121 0.6 6
  122 0.7 7
  123 0.02 0
  124 0.1 1
  134 0.1 1
  135 1.8 18
  136 0.01 0
  137 99.99 999
  138 10 100
  171 4.5 45
  172 0.01 0
  173 1.2 12
  174 0.1 1
  179 0.2 2
  192 0.06 1
  193 0.6 6
  194 0.1 1
  271 2.5 25
  272 0.01 0
  316 13.4 134
  317 2.8 28
//
