ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008281
RECORD_TITLE: 5-METHYLMERCAPTOTETRAZOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: 5-METHYLMERCAPTOTETRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂H₄N₄S
CH$EXACT_MASS: 116.01567
CH$SMILES: CSC1=NNN=N1
CH$IUPAC: InChI=1S/C2H4N4S/c1-7-2-3-5-6-4-2/h1H3,(H,3,4,5,6)
CH$LINK: INCHIKEY ZBXNFTFKKOSPLD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20183708

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-00kb-9100000000-60f75717223b102fa8b5
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  13 3.11 31
  14 7.99 80
  15 26.4 264
  16 2.83 28
  29 46.25 463
  32 4.91 49
  33 1.88 19
  34 1.64 16
  41 8.74 87
  42 4.79 48
  43 7.96 80
  44 21.99 220
  45 88.73 887
  46 36.89 369
  47 27.3 273
  48 11.46 115
  55 1.56 16
  56 1.76 18
  57 7.71 77
  58 33.03 330
  59 22.16 222
  60 4.19 42
  61 4.99 50
  69 19.62 196
  70 1.07 11
  71 1.05 11
  72 3.19 32
  73 53.24 532
  74 5.76 58
  75 2.28 23
  87 2.04 20
  88 49.26 493
  89 1.64 16
  90 2.05 21
  116 99.99 999
  117 6.95 70
  118 3.92 39
//