ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003865
RECORD_TITLE: METHAPYRILENE; 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$NAME: METHAPYRILENE
CH$NAME: N,N-DIMETHYL-N'-(2-PYRIDYL)-N'-(2-THIENYL)METHYL-1,2-ETHANEDIAMINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₁₉N₃S
CH$EXACT_MASS: 261.12997
CH$SMILES: CN(C)CCN(Cc(c2)scc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
CH$LINK: INCHIKEY HNJJXZKZRAWDPF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2023278

AC$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0a4j-9100000000-9f9c0628cb8aefa5e587
PK$NUM_PEAK: 101
PK$PEAK: m/z int. rel.int.
  38 0.9 9
  39 2.4 24
  40 1.4 14
  41 0.19 2
  42 5.9 59
  43 2.4 24
  44 2.9 29
  45 0.39 4
  46 0.9 9
  50 0.9 9
  51 1.9 19
  52 0.29 3
  53 2.9 29
  54 1.4 14
  55 2.4 24
  56 0.34 3
  57 2.4 24
  58 99.99 999
  59 4.9 49
  60 0.09 1
  64 0.4 4
  65 1.4 14
  66 0.9 9
  67 0.09 1
  68 0.4 4
  69 1.4 14
  70 1.9 19
  71 1.84 18
  72 28.4 284
  73 1.9 19
  74 0.4 4
  75 0.09 1
  76 0.9 9
  77 0.4 4
  78 6.4 64
  79 0.89 9
  80 1.4 14
  81 0.4 4
  82 1.4 14
  83 0.19 2
  84 23.9 239
  85 3.4 34
  89 0.9 9
  90 0.09 1
  91 4.4 44
  92 0.9 9
  93 1.2 12
  95 0.09 1
  96 0.9 9
  97 71.4 714
  98 7.4 74
  99 0.39 4
  100 0.4 4
  103 0.9 9
  104 0.4 4
  105 0.19 2
  106 2.4 24
  107 2.9 29
  108 0.4 4
  109 0.04 0
  117 0.9 9
  118 1.4 14
  119 3.9 39
  120 0.09 1
  121 1.4 14
  147 0.4 4
  148 0.4 4
  149 0.19 2
  150 2.9 29
  151 0.9 9
  152 0.4 4
  155 0.09 1
  156 0.4 4
  157 1.9 19
  158 0.4 4
  187 0.04 0
  188 0.9 9
  189 3.9 39
  190 11.9 119
  191 1.49 15
  192 1.9 19
  193 0.9 9
  194 0.4 4
  201 0.09 1
  202 0.9 9
  203 6.9 69
  204 1.4 14
  205 0.09 1
  206 0.4 4
  215 0.4 4
  216 0.9 9
  217 0.14 1
  218 0.4 4
  219 0.4 4
  260 0.9 9
  261 1.09 11
  262 1.9 19
  263 0.9 9
  264 0.4 4
  266 0.04 0
  267 1.4 14
//