MassBank Record: MSBNK-Waters-WA002845

7-Aminoflunitrazepam; LC-ESI-Q; MS; POS; 30 V

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ACCESSION: MSBNK-Waters-WA002845
RECORD_TITLE: 7-Aminoflunitrazepam; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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CH$NAME: 7-Aminoflunitrazepam
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₁₄FN₃O
CH$EXACT_MASS: 283.11209
CH$SMILES: Nc(c3)cc(c(c3)2)C(=NCC(=O)N(C)2)c(c1)c(F)ccc1
CH$IUPAC: InChI=1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
CH$LINK: CAS 34084-50-9
CH$LINK: INCHIKEY LTCDLGUFORGHGY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40187682

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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 12.900 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 30 V

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

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PK$SPLASH: splash10-001i-0090000000-8675a64d6e2a226dcdfc
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  284 999 999
  285 161 161
  286 8 8
  322 8 8
//