MassBank Record: MSBNK-Waters-WA001266
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
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318 8 8
339 12 12
351 12 12
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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
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409 31 31
410 82 82
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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
//