ACCESSION: MSBNK-Waters-WA001266
RECORD_TITLE: Loprazolam; 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$NAME: Loprazolam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₂₁ClN₆O₃
CH$EXACT_MASS: 464.13637
CH$SMILES: CN(C5)CCN(C5)C=c(n4)c(=O)n(c24)c(c3)c(cc(N(=O)=O)c3)C(=NC2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C23H21ClN6O3/c1-27-8-10-28(11-9-27)14-19-23(31)29-20-7-6-15(30(32)33)12-17(20)22(25-13-21(29)26-19)16-4-2-3-5-18(16)24/h2-7,12,14H,8-11,13H2,1H3/b19-14+
CH$LINK: CAS 61197-73-7
CH$LINK: INCHIKEY UTEFBSAVJNEPTR-XMHGGMMESA-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 13.400 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$SPLASH: splash10-014i-0300900000-a6a1966e8372c735181f
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  101 24 24
  108 8 8
  109 12 12
  111 576 576
  112 98 98
  123 12 12
  125 8 8
  138 12 12
  151 12 12
  166 35 35
  190 8 8
  252 8 8
  298 12 12
  300 12 12
  316 16 16
  318 8 8
  339 12 12
  351 12 12
  353 8 8
  362 12 12
  367 39 39
  368 8 8
  369 12 12
  379 8 8
  380 8 8
  381 27 27
  382 8 8
  383 8 8
  390 8 8
  391 8 8
  408 215 215
  409 31 31
  410 82 82
  411 16 16
  419 8 8
  422 82 82
  423 12 12
  424 31 31
  465 999 999
  466 149 149
  467 380 380
  468 71 71
  469 8 8
  487 59 59
  488 12 12
  489 27 27
  503 24 24
  505 12 12
//