ACCESSION: MSBNK-Waters-WA002843
RECORD_TITLE: 7-Aminoflunitrazepam; 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$NAME: 7-Aminoflunitrazepam
CH$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

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 60 V

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

PK$SPLASH: splash10-001r-0390000000-4d5331f15595a51ae069
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  106 8 8
  107 8 8
  108 12 12
  121 8 8
  123 67 67
  131 16 16
  132 12 12
  133 12 12
  135 431 431
  136 35 35
  146 24 24
  147 8 8
  148 94 94
  149 8 8
  161 59 59
  163 106 106
  164 8 8
  195 8 8
  207 39 39
  208 27 27
  210 12 12
  211 12 12
  215 24 24
  219 8 8
  225 12 12
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  227 239 239
  228 31 31
  229 12 12
  236 82 82
  237 16 16
  239 8 8
  240 43 43
  241 31 31
  242 8 8
  254 31 31
  256 176 176
  257 16 16
  264 74 74
  265 12 12
  269 8 8
  284 999 999
  285 149 149
  286 8 8
//