ACCESSION: MSBNK-Waters-WA001999
RECORD_TITLE: p-Hydroxyminaprine; 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$NAME: p-Hydroxyminaprine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₂N₄O₂
CH$EXACT_MASS: 314.17428
CH$SMILES: Oc(c3)ccc(c3)c(n1)cc(C)c(NCCN(C2)CCOC2)n1
CH$IUPAC: InChI=1S/C17H22N4O2/c1-13-12-16(14-2-4-15(22)5-3-14)19-20-17(13)18-6-7-21-8-10-23-11-9-21/h2-5,12,22H,6-11H2,1H3,(H,18,20)
CH$LINK: INCHIKEY ADRHYFBXMFKHDO-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 2.640 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$SPLASH: splash10-004i-0190000000-df01339458d77f8939c9
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  109 31 31
  114 74 74
  158 59 59
  185 86 86
  199 12 12
  200 12 12
  201 59 59
  202 12 12
  212 12 12
  228 999 999
  229 114 114
//