ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008284
RECORD_TITLE: 5-MERCAPTOTETRAZOLE; 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$NAME: 5-MERCAPTOTETRAZOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: CH₂N₄S
CH$EXACT_MASS: 102.00002
CH$SMILES: C1(=S)NNN=N1
CH$IUPAC: InChI=1S/CH2N4S/c6-1-2-4-5-3-1/h(H2,2,3,4,5,6)
CH$LINK: INCHIKEY JAAIPIWKKXCNOC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50885066

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$SPLASH: splash10-0006-9000000000-61d929f2c6774b9e1009
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  14 4.42 44
  15 8.61 86
  16 4.88 49
  17 12.81 128
  18 61.2 612
  20 7.69 77
  27 5.27 53
  28 7.15 72
  29 12.81 128
  32 9.24 92
  33 3.41 34
  34 9.24 92
  36 17.69 177
  38 5.24 52
  39 1.22 12
  41 5.8 58
  42 14.87 149
  43 54.02 540
  44 99.99 999
  45 20.67 207
  46 2 20
  47 5.44 54
  55 4.54 45
  56 2.11 21
  57 4.32 43
  58 3.71 37
  59 38.94 389
  60 14.47 145
  61 3.24 32
  69 4.26 43
  70 0.81 8
  71 3.09 31
  73 7.35 74
  74 11.14 111
  81 1.01 10
  82 1.03 10
  83 1.95 20
  84 1.46 15
  85 1.17 12
  87 0.9 9
  97 0.94 9
  98 0.94 9
  102 37.7 377
  104 1.19 12
  105 0.8 8
//