ACCESSION: MSBNK-Waters-WA002704
RECORD_TITLE: Hordenine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Hordenine
CH$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 75 V, 90 V

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

PK$SPLASH: splash10-004i-9100000000-34568bb2e842180e0601
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  77 999 999
  78 90 90
  91 317 317
  92 24 24
  93 43 43
  94 12 12
  95 294 294
  96 16 16
  102 31 31
  103 145 145
  104 12 12
  105 20 20
  118 51 51
  121 31 31
//