ACCESSION: MSBNK-Waters-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
  140 20 20
  152 35 35
  153 12 12
  165 458 458
  166 145 145
  167 353 353
  168 35 35
  177 20 20
  178 63 63
  179 24 24
  180 12 12
  190 20 20
  191 309 309
  192 999 999
  193 881 881
  194 98 98
  206 24 24
  207 24 24
  208 39 39
//