ACCESSION: MSBNK-Waters-WA000297
RECORD_TITLE: Temazepam; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0a4i-0290000000-c97c0a8a4be10669608e
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  104 55 55
  107 8 8
  117 27 27
  125 16 16
  127 12 12
  142 12 12
  150 8 8
  152 12 12
  166 8 8
  177 27 27
  179 8 8
  180 59 59
  181 12 12
  182 20 20
  193 262 262
  194 39 39
  216 27 27
  218 8 8
  221 20 20
  228 180 180
  229 24 24
  230 67 67
  231 8 8
  240 16 16
  242 8 8
  245 16 16
  255 999 999
  256 129 129
  257 372 372
  258 51 51
  259 8 8
  283 24 24
  285 8 8
  301 8 8
  323 63 63
  324 8 8
  325 20 20
  339 8 8
  364 8 8
//