ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004438
RECORD_TITLE: 5-AMINO-2-MESYLPYRIMIDINE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 5-AMINO-2-MESYLPYRIMIDINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₅H₇N₃O₂S
CH$EXACT_MASS: 173.02590
CH$SMILES: Nc(c1)cnc(n1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C5H7N3O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
CH$LINK: INCHIKEY ZELVQVPQIRFOQU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID00338451

AC$INSTRUMENT: MS-902
AC$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$SPLASH: splash10-03xr-9400000000-349419601683188df522
PK$NUM_PEAK: 95
PK$PEAK: m/z int. rel.int.
  36 1.8 18
  38 2.9 29
  39 10 100
  40 4.69 47
  41 32.7 327
  42 8.1 81
  43 7 70
  44 0.19 2
  45 5.7 57
  46 2.1 21
  47 1.6 16
  48 0.3 3
  49 0.3 3
  50 0.3 3
  51 1.1 11
  52 0.43 4
  53 7.6 76
  54 2.8 28
  55 14.9 149
  56 0.55 6
  57 1.5 15
  58 0.2 2
  59 0.4 4
  60 0.08 1
  62 0.2 2
  63 5.7 57
  64 10.4 104
  65 0.21 2
  66 17.1 171
  67 99.99 999
  68 8 80
  69 0.21 2
  70 0.7 7
  71 0.9 9
  72 0.6 6
  73 0.03 0
  74 0.5 5
  75 0.6 6
  76 0.3 3
  77 0.09 1
  78 0.2 2
  79 5.3 53
  80 0.9 9
  81 0.13 1
  82 21.4 214
  83 49 490
  84 2.8 28
  85 0.05 1
  87 0.4 4
  90 0.2 2
  91 0.2 2
  93 0.08 1
  94 54.1 541
  95 6.3 63
  96 0.8 8
  97 0.05 1
  98 0.3 3
  99 0.5 5
  102 0.4 4
  103 0.04 0
  104 0.6 6
  106 0.6 6
  108 1.1 11
  109 0.4 4
  110 86.7 867
  111 94.9 949
  112 6.1 61
  113 0.05 1
  115 1.4 14
  120 0.2 2
  122 0.5 5
  123 0.02 0
  124 1 10
  125 0.4 4
  126 0.5 5
  136 0.02 0
  137 0.2 2
  138 0.2 2
  139 2 20
  141 0.4 4
  142 1 10
  143 0.03 0
  145 0.3 3
  149 0.18 2
  150 0.2 2
  152 0.2 2
  153 0.3 3
  158 0.33 3
  159 0.2 2
  160 0.2 2
  167 0.4 4
  173 5.92 59
  174 6.7 67
  175 3.7 37
  176 0.4 4
//