ACCESSION: MSBNK-Waters-WA000809
RECORD_TITLE: Fluvoxamine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fluvoxamine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₁F₃N₂O₂
CH$EXACT_MASS: 318.15551
CH$SMILES: COCCCCC(=NOCCN)c(c1)ccc(c1)C(F)(F)F
CH$IUPAC: InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14-
CH$LINK: CAS 54739-18-3
CH$LINK: INCHIKEY CJOFXWAVKWHTFT-ZHZULCJRSA-N
CH$LINK: COMPTOX DTXSID60237496

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 14.600 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 30 V

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

PK$SPLASH: splash10-066r-0098000000-db7e808d858787c35703
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  200 86 86
  212 12 12
  226 137 137
  227 16 16
  228 86 86
  229 8 8
  244 12 12
  258 392 392
  259 251 251
  260 219 219
  261 20 20
  270 8 8
  276 12 12
  302 20 20
  319 999 999
  320 129 129
  321 12 12
  341 8 8
//