MassBank Record: MSBNK-Waters-WA002107

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

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ACCESSION: MSBNK-Waters-WA002107
RECORD_TITLE: Indalpine; 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

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CH$NAME: Indalpine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₀N₂
CH$EXACT_MASS: 228.16265
CH$SMILES: C1CNCCC1CCC2=CNC3=CC=CC=C32
CH$IUPAC: InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16-10-8-12/h1-4,11-12,16-17H,5-10H2
CH$LINK: CAS 63758-79-2
CH$LINK: INCHIKEY SADQVAVFGNTEOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80213196

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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 15.780 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

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

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PK$SPLASH: splash10-004i-0090000000-bc6264dc94325e1fd768
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  107 20 20
  135 16 16
  212 24 24
  229 999 999
  230 133 133
  233 16 16
//