ACCESSION: MSBNK-Waters-WA002648
RECORD_TITLE: Naftidrofuryl; 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$NAME: Naftidrofuryl
CH$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 75 V

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

PK$SPLASH: splash10-0udl-0900000000-9c770fa31a67524427a4
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  100 999 999
  101 67 67
  118 16 16
  141 619 619
  142 71 71
  153 74 74
  155 20 20
  165 110 110
  166 27 27
  167 78 78
  168 12 12
  178 24 24
  179 196 196
  180 43 43
  181 188 188
  182 39 39
  183 31 31
  191 12 12
  193 94 94
  194 12 12
  195 51 51
  203 16 16
  205 31 31
  207 35 35
  216 27 27
  221 43 43
  231 31 31
  234 12 12
  249 39 39
//