MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010808

1-ACETYLTHIOUREA; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010808
RECORD_TITLE: 1-ACETYLTHIOUREA; 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

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CH$NAME: 1-ACETYLTHIOUREA
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₃H₆N₂OS
CH$EXACT_MASS: 118.02008
CH$SMILES: CC(=O)NC(N)=S
CH$IUPAC: InChI=1S/C3H6N2OS/c1-2(6)5-3(4)7/h1H3,(H3,4,5,6,7)
CH$LINK: INCHIKEY IPCRBOOJBPETMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4060446

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-00kf-9400000000-c684d4a569af16b008ee
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 2.4 24
  42 10.11 101
  43 99.99 999
  44 7.2 72
  47 1.77 18
  48 2.47 25
  58 1.33 13
  59 7.15 72
  60 14.66 147
  63 1.19 12
  64 1.51 15
  75 3.03 30
  76 53.72 537
  77 1.95 20
  78 3.44 34
  90 2.64 26
  118 90.97 910
  119 4.68 47
  120 4.49 45
//