MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008195

METHYL ISOTHIOCYANATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008195
RECORD_TITLE: METHYL ISOTHIOCYANATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: NARA WOMEN'S UNIVERSITY
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL ISOTHIOCYANATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₃NS
CH$EXACT_MASS: 72.99862
CH$SMILES: CN=C=S
CH$IUPAC: InChI=1S/C2H3NS/c1-3-2-4/h1H3
CH$LINK: CAS 556-61-6
CH$LINK: INCHIKEY LGDSHSYDSCRFAB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2027204

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AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00di-9000000000-b429ebb7bc29e9080486
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  12 1.21 12
  14 1.85 19
  15 9.17 92
  26 1.03 10
  27 2.75 28
  28 10.67 107
  29 1.08 11
  32 10.41 104
  35 4.47 45
  38 3.65 37
  39 4.47 45
  40 4.82 48
  41 1.57 16
  44 13.34 133
  45 23.28 233
  46 5.33 53
  47 1.8 18
  57 6.72 67
  58 1.18 12
  70 7.99 80
  71 4.47 45
  72 43.44 434
  73 99.99 999
  74 5.47 55
  75 4.63 46
//