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MassBank Record: WA002106

Indalpine; LC-ESI-Q; MS; POS; 45 V

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

ACCESSION: WA002106
RECORD_TITLE: Indalpine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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

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 45 V

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

PK$SPLASH: splash10-004i-0390000000-b8fb6fec4d08837d7aab
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  106 114 114
  112 94 94
  118 20 20
  130 125 125
  132 20 20
  135 16 16
  136 39 39
  144 47 47
  156 27 27
  170 35 35
  183 20 20
  184 47 47
  198 16 16
  200 24 24
  212 439 439
  213 55 55
  215 12 12
  229 999 999
  230 118 118
//

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