ACCESSION: MSBNK-Waters-WA000295
RECORD_TITLE: Temazepam; 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$NAME: Temazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₃ClN₂O₂
CH$EXACT_MASS: 300.06656
CH$SMILES: Clc(c3)cc(c(c3)2)C(=NC(O)C(=O)N(C)2)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H13ClN2O2/c1-19-13-8-7-11(17)9-12(13)14(18-15(20)16(19)21)10-5-3-2-4-6-10/h2-9,15,20H,1H3
CH$LINK: CAS 846-50-4
CH$LINK: INCHIKEY SEQDDYPDSLOBDC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8021309

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 15.850 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$SPLASH: splash10-004l-0930000000-0a0cd00cc0b05b1a4641
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  101 20 20
  102 8 8
  104 302 302
  105 82 82
  106 55 55
  107 39 39
  111 51 51
  113 16 16
  114 47 47
  115 24 24
  116 63 63
  117 223 223
  118 129 129
  119 8 8
  123 129 129
  125 392 392
  126 12 12
  127 235 235
  128 8 8
  129 51 51
  130 27 27
  131 12 12
  132 55 55
  133 8 8
  136 20 20
  138 35 35
  139 47 47
  140 31 31
  141 20 20
  142 71 71
  143 8 8
  144 8 8
  145 16 16
  150 168 168
  151 74 74
  152 219 219
  153 39 39
  154 47 47
  155 8 8
  157 8 8
  163 8 8
  164 63 63
  165 451 451
  166 176 176
  167 55 55
  168 20 20
  169 20 20
  177 556 556
  178 102 102
  179 247 247
  180 165 165
  181 71 71
  182 12 12
  190 12 12
  191 67 67
  192 161 161
  193 999 999
  194 204 204
  195 24 24
  199 12 12
  201 16 16
  203 16 16
  204 16 16
  205 188 188
  206 43 43
  207 8 8
  208 12 12
  209 24 24
  213 16 16
  214 51 51
  215 12 12
  216 24 24
  218 8 8
  219 71 71
  220 20 20
  221 31 31
  227 27 27
  228 133 133
  229 161 161
  230 59 59
  231 51 51
  232 8 8
  239 235 235
  240 31 31
  241 86 86
  242 8 8
  243 78 78
  244 12 12
  245 27 27
  253 12 12
  255 466 466
  256 59 59
  257 239 239
  258 27 27
  259 24 24
  271 12 12
  283 8 8
  301 8 8
  323 71 71
  324 8 8
  325 24 24
  339 24 24
  341 12 12
  364 8 8
  365 20 20
  366 8 8
  381 16 16
//