ACCESSION: MSBNK-Waters-WA001992
RECORD_TITLE: Minaprine,-lactame; 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$NAME: Minaprine,-lactame
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₀N₄O₂
CH$EXACT_MASS: 312.15863
CH$SMILES: O=C(CNc(n3)c(C)cc(n3)c(c2)cccc2)N(C1)CCOC1
CH$IUPAC: InChI=1S/C17H20N4O2/c1-13-11-15(14-5-3-2-4-6-14)19-20-17(13)18-12-16(22)21-7-9-23-10-8-21/h2-6,11H,7-10,12H2,1H3,(H,18,20)
CH$LINK: INCHIKEY SGOJRGZBIVIGIS-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 11.830 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$SPLASH: splash10-004i-0920000000-4af91a61305aaa9bc6eb
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  100 141 141
  104 12 12
  109 20 20
  115 12 12
  118 51 51
  119 12 12
  128 999 999
  129 59 59
  142 63 63
  143 24 24
  144 12 12
  169 102 102
  170 20 20
  171 16 16
  183 12 12
  185 27 27
  186 161 161
  187 16 16
  196 20 20
  198 12 12
  210 16 16
  212 302 302
  213 27 27
  224 20 20
  295 35 35
  313 16 16
//