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MassBank Record: WA001728

Chlophedianol; LC-ESI-Q; MS; POS; 15 V, 30 V

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

ACCESSION: WA001728
RECORD_TITLE: Chlophedianol; LC-ESI-Q; MS; POS; 15 V, 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Chlophedianol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H20ClNO
CH$EXACT_MASS: 289.12334
CH$SMILES: CN(C)CCC(O)(c(c2)cccc2)c(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C17H20ClNO/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18/h3-11,20H,12-13H2,1-2H3
CH$LINK: CAS 791-35-5
CH$LINK: INCHIKEY WRCHFMBCVFFYEQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4022789

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 13.520 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 15 V, 30 V

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

PK$SPLASH: splash10-0006-0090000000-426610af2825864df37e
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  254 114 114
  255 20 20
  256 8 8
  272 12 12
  290 999 999
  291 161 161
  292 349 349
  293 55 55
//

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