ACCESSION: MSBNK-Waters-WA002647
RECORD_TITLE: Naftidrofuryl; 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$NAME: Naftidrofuryl
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₃NO₃
CH$EXACT_MASS: 383.24604
CH$SMILES: CCN(CC)CCOC(=O)C(CC(C3)OCC3)Cc(c1)c(c2)c(ccc2)cc1
CH$IUPAC: InChI=1S/C24H33NO3/c1-3-25(4-2)14-16-28-24(26)21(18-22-12-8-15-27-22)17-20-11-7-10-19-9-5-6-13-23(19)20/h5-7,9-11,13,21-22H,3-4,8,12,14-18H2,1-2H3
CH$LINK: CAS 31329-57-4
CH$LINK: INCHIKEY KBAFPSLPKGSANY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3023344

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 15.560 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$SPLASH: splash10-0006-0900000000-0635b5a6c96bcc13e42d
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  100 251 251
  101 16 16
  115 219 219
  116 20 20
  141 999 999
  142 118 118
  152 39 39
  153 137 137
  154 27 27
  155 31 31
  165 200 200
  166 63 63
  167 110 110
  168 16 16
  178 114 114
  179 208 208
  180 43 43
  181 153 153
  182 39 39
  183 12 12
  191 24 24
  192 16 16
  193 51 51
  194 12 12
  195 27 27
  203 16 16
  205 20 20
  207 20 20
  215 16 16
  216 20 20
  384 12 12
//