ACCESSION: MSBNK-Waters-WA000298
RECORD_TITLE: Temazepam; LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0a4i-0091000000-309adf0251c99f514813
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  104 12 12
  180 35 35
  182 12 12
  193 20 20
  216 20 20
  218 8 8
  228 67 67
  229 8 8
  230 24 24
  240 24 24
  245 16 16
  255 999 999
  256 129 129
  257 345 345
  258 43 43
  283 262 262
  284 39 39
  285 90 90
  286 12 12
  301 121 121
  302 20 20
  303 43 43
  323 125 125
  324 16 16
  325 43 43
  326 8 8
  339 12 12
  364 12 12
//