ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002781
RECORD_TITLE: THENYLDIAMINE; 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$NAME: THENYLDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₉N₃S
CH$EXACT_MASS: 261.12997
CH$SMILES: CN(C)CCN(Cc(c2)csc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C14H19N3S/c1-16(2)8-9-17(11-13-6-10-18-12-13)14-5-3-4-7-15-14/h3-7,10,12H,8-9,11H2,1-2H3
CH$LINK: INCHIKEY RCGYDFVCAAKKNG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021335

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-9100000000-ec80b5cc3d99e052fa94
PK$NUM_PEAK: 135
PK$PEAK: m/z int. rel.int.
  37 1.5 15
  38 4.1 41
  39 7.9 79
  40 1.03 10
  41 7 70
  42 14.2 142
  43 6.5 65
  44 1.01 10
  45 9.8 98
  46 0.3 3
  47 1.2 12
  48 0.08 1
  49 0.8 8
  50 2.9 29
  51 8.9 89
  52 0.79 8
  53 9.1 91
  54 1.8 18
  55 4 40
  56 0.48 5
  57 4.9 49
  58 99.99 999
  59 4.3 43
  60 0.03 0
  61 0.7 7
  62 0.8 8
  63 1.9 19
  64 0.15 2
  65 2.4 24
  66 1.8 18
  67 3.6 36
  68 0.15 2
  69 2.4 24
  70 3.5 35
  71 22.4 224
  72 2.36 24
  73 2 20
  74 0.1 1
  75 1.2 12
  76 0.09 1
  78 13.5 135
  79 14.9 149
  80 2.5 25
  81 0.15 2
  82 1.1 11
  83 1.5 15
  84 0.9 9
  85 0.11 1
  90 0.3 3
  91 2.3 23
  92 1.3 13
  93 0.02 0
  94 2.3 23
  95 1.7 17
  96 0.9 9
  97 6.81 68
  98 7 70
  99 4 40
  100 1.5 15
  102 0.09 1
  103 0.7 7
  104 1.1 11
  105 5.1 51
  106 0.23 2
  107 3.8 38
  108 1.2 12
  109 1 10
  110 0.12 1
  111 0.9 9
  112 3.2 32
  113 0.3 3
  114 0.03 0
  115 1 10
  116 0.8 8
  117 1 10
  118 0.29 3
  119 4.8 48
  120 1.6 16
  121 1.6 16
  122 0.03 0
  123 0.8 8
  124 0.2 2
  125 0.2 2
  126 0.02 0
  127 0.1 1
  128 0.1 1
  129 0.1 1
  130 0.02 0
  131 1.4 14
  132 0.9 9
  133 1 10
  134 0.09 1
  135 1.2 12
  136 0.2 2
  139 0.1 1
  156 0.03 0
  157 1.6 16
  158 0.7 7
  159 0.1 1
  161 0.08 1
  162 1.1 11
  163 0.9 9
  165 0.3 3
  166 0.02 0
  167 0.8 8
  168 0.1 1
  185 0.7 7
  186 0.01 0
  187 1 10
  188 0.8 8
  189 3 30
  190 0.78 8
  191 7.9 79
  192 1.7 17
  193 0.9 9
  194 0.01 0
  201 0.2 2
  202 0.3 3
  203 6.1 61
  204 0.17 2
  205 0.9 9
  210 1.1 11
  211 0.1 1
  212 0.02 0
  213 0.3 3
  214 0.5 5
  215 1 10
  216 0.09 1
  217 1.1 11
  218 1.1 11
  219 1.5 15
  220 0.03 0
  259 0.3 3
  261 1.3 13
  262 0.3 3
//