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MassBank Record: WA002705

Hordenine; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002705
RECORD_TITLE: Hordenine; 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$NAME: Hordenine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H15NO
CH$EXACT_MASS: 165.11536
CH$SMILES: CN(C)CCc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3
CH$LINK: CAS 539-15-1
CH$LINK: INCHIKEY KUBCEEMXQZUPDQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2046096

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 2.730 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$SPLASH: splash10-0fbc-9300000000-4776077f2a140f31fe8b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  77 999 999
  78 63 63
  91 674 674
  92 43 43
  93 309 309
  94 20 20
  95 360 360
  96 20 20
  102 24 24
  103 517 517
  104 39 39
  105 24 24
  118 59 59
  121 282 282
  122 24 24
//

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