ACCESSION: MSBNK-Waters-WA002890
RECORD_TITLE: 4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-016r-5900000000-63e1be4e915dbf7aac43
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  75 8 8
  77 658 658
  79 227 227
  81 8 8
  89 470 470
  90 478 478
  91 184 184
  92 12 12
  94 12 12
  95 114 114
  96 8 8
  101 8 8
  102 24 24
  103 564 564
  105 145 145
  106 8 8
  115 999 999
  117 729 729
  118 94 94
  119 12 12
  128 27 27
  130 748 748
  131 102 102
  132 55 55
  146 8 8
  192 27 27
//