ACCESSION: MSBNK-Waters-WA002299
RECORD_TITLE: Debrisoquin; 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$NAME: Debrisoquin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃
CH$EXACT_MASS: 175.11095
CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C1
CH$IUPAC: InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
CH$LINK: CAS 1131-64-2
CH$LINK: INCHIKEY JWPGJSVJDAJRLW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7022885

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 10.390 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$SPLASH: splash10-053r-0900000000-201239c0a6b0d91d7ce8
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  91 20 20
  105 396 396
  106 27 27
  107 20 20
  115 71 71
  117 372 372
  118 24 24
  119 35 35
  132 8 8
  134 999 999
  135 180 180
  136 8 8
  140 8 8
  142 196 196
  143 20 20
  159 278 278
  160 63 63
  176 470 470
  177 55 55
//