ACCESSION: MSBNK-Waters-WA002728
RECORD_TITLE: Fipexide; 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$NAME: Fipexide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₂₁ClN₂O₄
CH$EXACT_MASS: 388.11898
CH$SMILES: Clc(c4)ccc(c4)OCC(=O)N(C3)CCN(C3)Cc(c1)cc(O2)c(OC2)c1
CH$IUPAC: InChI=1S/C20H21ClN2O4/c21-16-2-4-17(5-3-16)25-13-20(24)23-9-7-22(8-10-23)12-15-1-6-18-19(11-15)27-14-26-18/h1-6,11H,7-10,12-14H2
CH$LINK: CAS 34161-24-5
CH$LINK: INCHIKEY BFUJHVVEMMWLHC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5044657

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 14.400 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$SPLASH: splash10-0670-0900000000-3d919255539658cd39fe
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  103 20 20
  105 595 595
  106 51 51
  107 16 16
  111 16 16
  115 59 59
  116 24 24
  117 24 24
  118 999 999
  119 67 67
  120 12 12
  129 12 12
  130 35 35
  131 12 12
  135 905 905
  136 63 63
  144 24 24
  145 12 12
  146 16 16
  152 12 12
  165 27 27
  178 31 31
  179 12 12
  192 20 20
  193 63 63
  194 16 16
  204 20 20
  206 27 27
  207 12 12
  208 20 20
  218 12 12
  220 12 12
  389 12 12
  411 20 20
//