MassBank Record: MSBNK-Waters-WA000458

Tripelennamine; LC-ESI-Q; MS; POS; 30 V

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ACCESSION: MSBNK-Waters-WA000458
RECORD_TITLE: Tripelennamine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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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

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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 30 V

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

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PK$SPLASH: splash10-03di-0090000000-1063473536490e1b8102
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  211 999 999
  212 161 161
  213 12 12
  256 184 184
  257 35 35
//