ACCESSION: MSBNK-Waters-WA001267
RECORD_TITLE: Loprazolam; 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$NAME: Loprazolam
CH$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 45 V

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

PK$SPLASH: splash10-014i-0000900000-3b69c84f4567d29e43b0
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  101 55 55
  111 90 90
  112 8 8
  408 24 24
  410 12 12
  422 8 8
  465 999 999
  466 180 180
  467 372 372
  468 71 71
  469 8 8
  487 16 16
  489 8 8
  503 12 12
//