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MassBank Record: WA002064

Metapramine; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA002064
RECORD_TITLE: Metapramine; LC-ESI-Q; MS; POS; 75 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Metapramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C16H18N2
CH$EXACT_MASS: 238.14700
CH$SMILES: CNC(C1)c(c3)c(ccc3)N(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C16H18N2/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16/h3-10,14,17H,11H2,1-2H3
CH$LINK: CAS 21730-16-5
CH$LINK: INCHIKEY YXVZOBVWVRFPTE-UHFFFAOYSA-N

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 13.040 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 75 V

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

PK$SPLASH: splash10-0006-0900000000-9c7a709797fe86360494
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  165 67 67
  166 47 47
  167 121 121
  168 12 12
  178 20 20
  179 12 12
  191 20 20
  192 259 259
  193 999 999
  194 137 137
  207 20 20
  208 125 125
  209 16 16
//

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