ACCESSION: MSBNK-Waters-WA002891
RECORD_TITLE: 4-Hydroxydebrisoquin; 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$NAME: 4-Hydroxydebrisoquin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃N₃O
CH$EXACT_MASS: 191.10586
CH$SMILES: NC(=N)N(C1)Cc(c2)c(ccc2)C(O)1
CH$IUPAC: InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
CH$LINK: CAS 59333-79-8
CH$LINK: INCHIKEY AKFURXZANOMQBD-UHFFFAOYSA-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 2.220 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$SPLASH: splash10-0159-1900000000-04bde6291735ab96fd85
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  77 82 82
  79 102 102
  80 8 8
  86 8 8
  89 51 51
  90 102 102
  91 110 110
  103 251 251
  105 149 149
  106 12 12
  115 999 999
  117 842 842
  118 78 78
  128 12 12
  130 803 803
  131 110 110
  132 196 196
  133 16 16
  157 16 16
  192 16 16
//