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MassBank Record: WA000456

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

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

ACCESSION: WA000456
RECORD_TITLE: Tripelennamine; 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$NAME: Tripelennamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H21N3
CH$EXACT_MASS: 255.17355
CH$SMILES: CN(C)CCN(Cc(c2)cccc2)c(c1)nccc1
CH$IUPAC: InChI=1S/C16H21N3/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15/h3-11H,12-14H2,1-2H3
CH$LINK: CAS 91-81-6
CH$LINK: INCHIKEY UFLGIAIHIAPJJC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8023717

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 12.910 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$SPLASH: splash10-01b9-0920000000-336538a46e35fb150ee7
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  119 999 999
  120 533 533
  121 59 59
  211 427 427
  212 71 71
//

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