ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003081
RECORD_TITLE: ACETOPHENAZINE; 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$NAME: ACETOPHENAZINE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₉N₃O₂S
CH$EXACT_MASS: 411.19805
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(C)=O)3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
CH$LINK: INCHIKEY WNTYBHLDCKXEOT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022547

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$SPLASH: splash10-0h2f-7962200000-29f2e9055979e0add70b
PK$NUM_PEAK: 134
PK$PEAK: m/z int. rel.int.
  41 6.4 64
  42 30.4 304
  43 15.9 159
  44 0.79 8
  45 5.5 55
  54 2.4 24
  55 6.9 69
  56 1.79 18
  57 9.9 99
  58 11.9 119
  68 2.9 29
  69 0.39 4
  70 37.9 379
  71 9.9 99
  72 3.9 39
  73 0.39 4
  74 4.9 49
  77 1.5 15
  78 0.1 1
  79 0.01 0
  80 1.1 11
  81 1.8 18
  82 4.1 41
  83 0.44 4
  84 7.6 76
  85 3.2 32
  86 3 30
  87 0.08 1
  88 3.1 31
  89 1.1 11
  90 0.3 3
  95 0.14 1
  96 4.9 49
  97 10.9 109
  98 13.9 139
  99 0.79 8
  100 14.9 149
  101 1.4 14
  109 1.4 14
  110 0.19 2
  111 7.9 79
  112 2.9 29
  113 22.9 229
  114 0.39 4
  115 2.9 29
  123 2.4 24
  124 1.9 19
  125 1.04 10
  126 3.9 39
  127 4.4 44
  128 3.9 39
  129 0.24 2
  139 9.4 94
  140 2.4 24
  141 7.9 79
  142 0.14 1
  143 55.9 559
  144 4.9 49
  152 0.9 9
  153 0.69 7
  154 1.9 19
  155 0.9 9
  157 24.9 249
  158 0.29 3
  159 0.9 9
  166 1.4 14
  167 1.9 19
  168 0.09 1
  169 4.4 44
  170 2.4 24
  171 19.9 199
  172 0.34 3
  177 0.4 4
  178 1.9 19
  179 3.9 39
  180 0.26 3
  189 3.9 39
  190 17.9 179
  191 1.9 19
  192 0.04 0
  193 0.9 9
  194 0.9 9
  196 3.9 39
  197 0.89 9
  198 4.9 49
  199 1.9 19
  200 0.9 9
  209 0.09 1
  210 2.9 29
  211 3.4 34
  212 5.9 59
  213 0.14 1
  214 0.9 9
  222 14.9 149
  223 4.9 49
  224 0.29 3
  225 2.4 24
  226 1.9 19
  240 13.9 139
  241 0.99 10
  242 2.9 29
  243 0.9 9
  254 99.99 999
  255 3.59 36
  256 10.9 109
  257 2.9 29
  267 2.4 24
  268 0.84 8
  269 5.4 54
  270 2.4 24
  280 7.9 79
  281 0.79 8
  282 2.9 29
  283 1.4 14
  310 2.4 24
  311 0.19 2
  324 3.9 39
  325 1.4 14
  337 3.6 36
  338 0.11 1
  380 27.4 274
  381 7.9 79
  382 2.9 29
  383 0.09 1
  393 8.1 81
  394 3 30
  395 1.4 14
  396 0.09 1
  409 2.4 24
  410 1.9 19
  411 51.9 519
  412 1.64 16
  413 5.9 59
  414 1.4 14
//