ACCESSION: MSBNK-Waters-WA002574
RECORD_TITLE: Furosemide; LC-ESI-Q; MS; NEG; 15 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Furosemide
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₁ClN₂O₅S
CH$EXACT_MASS: 330.00772
CH$SMILES: OC(=O)c(c1)c(NCc(c2)occ2)cc(Cl)c1S(N)(=O)=O
CH$IUPAC: InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)
CH$LINK: CAS 54-31-9
CH$LINK: INCHIKEY ZZUFCTLCJUWOSV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020648

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 14.860 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 15 V

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

PK$SPLASH: splash10-004i-0009000000-c176a8417d2b7c0902ee
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  108 16 16
  121 16 16
  132 12 12
  175 16 16
  177 12 12
  203 12 12
  213 16 16
  215 16 16
  251 16 16
  269 20 20
  311 90 90
  312 16 16
  329 999 999
  330 133 133
  331 345 345
  332 47 47
  333 24 24
  352 12 12
  365 20 20
//