ACCESSION: MSBNK-Waters-WA002195
RECORD_TITLE: Perphenazine (oxide); LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Perphenazine (oxide)
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₂₆ClN₃OS
CH$EXACT_MASS: 403.14851
CH$SMILES: OCCN(C4)CCN(C4)CCCN(c21)c(c3)c(cc(Cl)c3)Sc(cccc2)1
CH$IUPAC: InChI=1S/C21H26ClN3OS/c22-17-6-7-19-21(16-17)27-20-5-2-1-4-18(20)25(19)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2
CH$LINK: CAS 58-39-9
CH$LINK: INCHIKEY QKCRCAHAOIHDMI-UHFFFAOYSA-N

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.130 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-0gvo-0960000000-7340a422a4cc590cc2bd
PK$NUM_PEAK: 82
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 47 47
  102 12 12
  106 12 12
  109 12 12
  110 12 12
  111 39 39
  112 94 94
  113 184 184
  114 16 16
  117 16 16
  124 35 35
  125 35 35
  126 24 24
  127 12 12
  128 180 180
  129 24 24
  131 16 16
  133 12 12
  139 59 59
  141 184 184
  143 827 827
  144 47 47
  147 12 12
  154 16 16
  166 24 24
  167 59 59
  169 31 31
  171 215 215
  172 20 20
  180 51 51
  182 20 20
  183 12 12
  194 16 16
  195 39 39
  196 157 157
  198 129 129
  199 35 35
  200 24 24
  206 35 35
  207 20 20
  210 20 20
  211 168 168
  212 90 90
  213 47 47
  214 623 623
  215 110 110
  216 161 161
  217 16 16
  222 12 12
  223 24 24
  224 24 24
  225 35 35
  226 12 12
  227 20 20
  228 153 153
  229 16 16
  230 16 16
  232 137 137
  233 67 67
  234 55 55
  235 35 35
  237 16 16
  238 35 35
  239 145 145
  240 31 31
  241 24 24
  242 20 20
  246 302 302
  247 31 31
  248 125 125
  249 12 12
  254 12 12
  255 43 43
  256 20 20
  260 12 12
  269 16 16
  272 12 12
  273 16 16
  276 16 16
  404 12 12
  418 20 20
//