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MassBank Record: WA002063

Metapramine; LC-ESI-Q; MS; POS; 90 V

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

ACCESSION: WA002063
RECORD_TITLE: Metapramine; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-0006-0900000000-d2857d159cce391ced4d
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  117 12 12
  128 12 12
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  152 35 35
  153 12 12
  165 458 458
  166 145 145
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  177 20 20
  178 63 63
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  180 12 12
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  191 309 309
  192 999 999
  193 881 881
  194 98 98
  206 24 24
  207 24 24
  208 39 39
//

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