ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011888
RECORD_TITLE: ACETAMIDOTHIAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ACETAMIDOTHIAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₆N₂OS
CH$EXACT_MASS: 142.02008
CH$SMILES: CC(=O)Nc(n1)scc1
CH$IUPAC: InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
CH$LINK: INCHIKEY WXPLRSVMGRAIGW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3062607

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0udl-6900000000-bd41f53ff5bef1a17372
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  15 3.67 37
  28 3.51 35
  40 1.02 10
  42 2.48 25
  43 38.71 387
  45 8.67 87
  46 2.18 22
  55 7.39 74
  57 2.67 27
  58 16.38 164
  59 1.47 15
  60 1 10
  71 1.07 11
  73 11.18 112
  99 1.12 11
  100 99.99 999
  101 5.49 55
  102 4.76 48
  142 29.3 293
  143 5.47 55
  144 1.59 16
//