ACCESSION: MSBNK-Waters-WA002057
RECORD_TITLE: Minaprine; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Minaprine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₄O
CH$EXACT_MASS: 298.17936
CH$SMILES: O(C3)CCN(C3)CCNc(n2)c(C)cc(n2)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)
CH$LINK: CAS 25905-77-5
CH$LINK: INCHIKEY LDMWSLGGVTVJPG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5048477

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 11.460 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, 90 V

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

PK$SPLASH: splash10-03di-0390000000-0921c305480b8caeaf83
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  109 27 27
  114 78 78
  118 20 20
  119 12 12
  142 63 63
  169 78 78
  170 12 12
  183 12 12
  184 12 12
  185 47 47
  186 20 20
  212 999 999
  213 141 141
//