MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010796
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010796
RECORD_TITLE: THIOACETAMIDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: THIOACETAMIDE
CH$NAME: ETHANETHIOAMIDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C2H5NS
CH$EXACT_MASS: 75.01427
CH$SMILES: CC(N)=S
CH$IUPAC: InChI=1S/C2H5NS/c1-2(3)4/h1H3,(H2,3,4)
CH$LINK: INCHIKEY
YUKQRDCYNOVPGJ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9021340
AC$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: splash10-004l-9000000000-609a2df4de711d8cf906
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41 36.17 362
42 24.3 243
43 1.51 15
45 4 40
46 1.39 14
47 1.34 13
48 1.07 11
57 2.14 21
58 6.92 69
59 14.74 147
60 34.43 344
61 1.43 14
62 1.54 15
64 13.74 137
66 1.18 12
75 99.99 999
76 3.5 35
77 4.54 45
//