ACCESSION: MSBNK-Waters-WA001998
RECORD_TITLE: p-Hydroxyminaprine; 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$NAME: p-Hydroxyminaprine
CH$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 90 V

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

PK$SPLASH: splash10-056r-0960000000-1ea05544c1c9065dec2e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  103 20 20
  106 20 20
  107 31 31
  108 31 31
  109 161 161
  111 165 165
  114 82 82
  115 12 12
  119 39 39
  120 39 39
  121 71 71
  130 20 20
  131 20 20
  133 16 16
  134 35 35
  135 24 24
  136 16 16
  144 16 16
  145 24 24
  146 16 16
  156 16 16
  158 466 466
  159 55 55
  160 27 27
  171 16 16
  172 16 16
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  174 12 12
  183 16 16
  184 16 16
  185 388 388
  186 43 43
  187 16 16
  199 59 59
  200 47 47
  201 208 208
  202 31 31
  211 16 16
  212 67 67
  213 24 24
  228 999 999
  229 106 106
  315 16 16
//