ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003095
RECORD_TITLE: 10-(2-DIETHYLAMINOETHYL)-PHENOTHIAZINE DIETHAZINE; 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$NAME: 10-(2-DIETHYLAMINOETHYL)-PHENOTHIAZINE DIETHAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C18H22N2S
CH$EXACT_MASS: 298.15037
CH$SMILES: CCN(CC)CCN(c21)c(c3)c(ccc3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3
CH$LINK: INCHIKEY LURMIKVZJSMXQE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40208700
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: splash10-000i-9110000000-8af5f76eb4d883361933
PK$NUM_PEAK: 86
PK$PEAK: m/z int. rel.int.
  27 0.4 4
  28 1.4 14
  29 1.9 19
  30 0.49 5
  35 0.1 1
  36 0.1 1
  41 0.4 4
  42 0.11 1
  43 0.4 4
  44 0.9 9
  45 0.4 4
  47 0.14 1
  48 1.1 11
  49 0.9 9
  50 0.9 9
  51 0.06 1
  52 0.4 4
  54 0.1 1
  56 1.4 14
  57 0.09 1
  58 5.9 59
  59 0.1 1
  69 0.4 4
  70 0.04 0
  71 0.4 4
  72 0.4 4
  77 0.2 2
  78 0.07 1
  79 0.2 2
  82 0.9 9
  83 6.4 64
  84 0.09 1
  85 4.4 44
  86 99.99 999
  87 5.9 59
  99 0.01 0
  100 0.9 9
  101 0.1 1
  108 0.4 4
  109 0.09 1
  118 0.1 1
  120 0.2 2
  121 0.1 1
  127 0.09 1
  128 0.1 1
  139 0.9 9
  140 0.6 6
  141 0.01 0
  151 0.6 6
  152 0.9 9
  153 0.9 9
  154 0.11 1
  155 0.1 1
  166 0.6 6
  167 0.6 6
  168 0.01 0
  171 0.6 6
  172 0.4 4
  177 0.4 4
  178 0.09 1
  179 1.4 14
  180 3.9 39
  181 0.9 9
  182 0.01 0
  183 0.2 2
  184 0.6 6
  196 0.4 4
  197 0.09 1
  198 3.4 34
  199 1.1 11
  200 0.4 4
  201 0.01 0
  210 0.4 4
  211 0.4 4
  212 2.9 29
  213 0.09 1
  214 0.4 4
  223 0.6 6
  224 0.7 7
  225 0.08 1
  226 0.6 6
  227 0.4 4
  298 10.4 104
  299 0.34 3
  300 0.9 9
  301 0.4 4
//
