ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010919
RECORD_TITLE: METHYL 2-CYANOETHANESULFONATE; 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$NAME: METHYL 2-CYANOETHANESULFONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₇NO₃S
CH$EXACT_MASS: 149.01466
CH$SMILES: N#CCCS(=O)(=O)OC
CH$IUPAC: InChI=1S/C4H7NO3S/c1-8-9(6,7)4-2-3-5/h2,4H2,1H3
CH$LINK: INCHIKEY VYWNBUBFYLAECR-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$SPLASH: splash10-004i-9000000000-7cc7a4ce2c9b8cf3d977
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  26 2.7 27
  27 4.3 43
  28 9.6 96
  29 2.8 28
  31 1 10
  32 0.9 9
  39 0.4 4
  41 0.5 5
  42 6.3 63
  43 19.9 199
  44 0.9 9
  45 0.2 2
  48 1.4 14
  51 1.1 11
  52 3.5 35
  53 7.5 75
  54 27.2 272
  55 1.1 11
  63 0.9 9
  64 1.1 11
  65 3.8 38
  68 0.4 4
  70 8.4 84
  78 0.3 3
  79 99.99 999
  80 4.5 45
  81 5.6 56
  94 1.7 17
  96 1 10
  97 2.5 25
  106 3.4 34
  123 0.4 4
  134 14.7 147
  135 0.4 4
  136 0.4 4
//