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MassBank Record: MSBNK-Waters-WA002892

4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 60 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Waters-WA002892
RECORD_TITLE: 4-Hydroxydebrisoquin; 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$NAME: 4-Hydroxydebrisoquin
CH$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 60 V

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

PK$SPLASH: splash10-00lr-0900000000-00ca21523259c44613f0
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  79 20 20
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  115 995 995
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  130 913 913
  132 999 999
  133 90 90
  157 121 121
  158 12 12
  174 16 16
  192 16 16
//

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