ACCESSION: MSBNK-Waters-WA001265
RECORD_TITLE: Loprazolam; LC-ESI-Q; MS; POS; 75 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 75 V

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

PK$SPLASH: splash10-03xr-0825900000-34111d4ec99c8a52d26f
PK$NUM_PEAK: 125
PK$PEAK: m/z int. rel.int.
  101 8 8
  107 20 20
  108 31 31
  109 98 98
  111 999 999
  112 153 153
  113 12 12
  121 27 27
  123 67 67
  125 78 78
  127 31 31
  135 20 20
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  167 8 8
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//