ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009973
RECORD_TITLE: 2-(2-BENZOTHIAZOLYL)AZO-4-(N,N-DIMETHYL)AMINOBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-(2-BENZOTHIAZOLYL)AZO-4-(N,N-DIMETHYL)AMINOBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H14N4O2S
CH$EXACT_MASS: 326.08375
CH$SMILES: CN(C)c(c1)cc(N=Nc(n2)sc(c3)c(ccc3)2)c(C(O)=O)c1
CH$IUPAC: InChI=1S/C16H14N4O2S/c1-20(2)10-7-8-11(15(21)22)13(9-10)18-19-16-17-12-5-3-4-6-14(12)23-16/h3-9H,1-2H3,(H,21,22)/b19-18+
CH$LINK: INCHIKEY IUIWKULRUPRNEN-VHEBQXMUSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-0fl0-4890000000-b400a2b6094ff4f3337e
PK$NUM_PEAK: 99
PK$PEAK: m/z int. rel.int.
  27 0.8 8
  38 0.4 4
  39 3.5 35
  41 0.07 1
  42 21.2 212
  50 2.4 24
  51 3.1 31
  52 0.16 2
  53 1.1 11
  54 0.5 5
  58 0.4 4
  62 0.03 0
  63 5.8 58
  64 2.3 23
  65 4.3 43
  66 0.18 2
  67 0.8 8
  68 1.5 15
  69 2.7 27
  70 0.11 1
  74 0.1 1
  75 0.8 8
  76 2.8 28
  77 1.91 19
  78 10.3 103
  79 13.2 132
  80 2.2 22
  81 0.08 1
  82 1.1 11
  89 0.4 4
  90 7.8 78
  91 0.96 10
  92 6.6 66
  93 5 50
  94 1.6 16
  95 0.09 1
  96 0.9 9
  102 0.3 3
  103 2 20
  104 1.66 17
  105 23.2 232
  106 2.3 23
  107 1.6 16
  108 0.19 2
  109 0.8 8
  117 1.1 11
  118 7.3 73
  119 0.97 10
  120 99.99 999
  121 9.2 92
  122 1.2 12
  123 0.09 1
  126 0.5 5
  127 15 150
  128 1.9 19
  131 0.18 2
  132 0.3 3
  133 2.3 23
  134 3.4 34
  135 0.2 2
  136 0.8 8
  141 1.4 14
  145 0.5 5
  148 0.97 10
  149 1.2 12
  150 5.3 53
  151 0.8 8
  152 0.08 1
  159 1.9 19
  163 0.4 4
  176 2.3 23
  177 0.58 6
  178 1.2 12
  209 0.3 3
  210 2.2 22
  211 0.16 2
  212 0.5 5
  223 0.5 5
  224 0.8 8
  228 0.01 0
  237 1.8 18
  238 2.7 27
  239 2.3 23
  240 0.09 1
  251 0.7 7
  253 24.7 247
  254 55.3 553
  255 1.11 11
  256 3.1 31
  257 0.5 5
  268 0.3 3
  281 0.27 3
  282 78.6 786
  283 15.8 158
  284 5.4 54
  285 0.09 1
  325 0.9 9
  326 2.1 21
  327 0.5 5
//
