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MassBank Record: MSBNK-Waters-WA002597

Fluindione; LC-ESI-Q; MS; NEG; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Waters-WA002597
RECORD_TITLE: Fluindione; LC-ESI-Q; MS; NEG; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fluindione
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H9FO2
CH$EXACT_MASS: 240.05866
CH$SMILES: Fc(c3)ccc(c3)C(C(=O)1)C(=O)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C15H9FO2/c16-10-7-5-9(6-8-10)13-14(17)11-3-1-2-4-12(11)15(13)18/h1-8,13H
CH$LINK: CAS 957-56-2
CH$LINK: INCHIKEY NASXCEITKQITLD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1046211

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 17.000 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$SPLASH: splash10-00kr-0930000000-e66a6be5dc09969363c4
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  101 337 337
  102 31 31
  106 24 24
  107 16 16
  113 118 118
  115 35 35
  117 102 102
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  125 110 110
  126 12 12
  135 807 807
  136 51 51
  141 137 137
  142 12 12
  145 733 733
  146 67 67
  149 35 35
  151 31 31
  162 35 35
  163 223 223
  164 31 31
  169 956 956
  170 114 114
  171 20 20
  175 27 27
  182 27 27
  183 219 219
  184 35 35
  191 168 168
  192 24 24
  193 39 39
  210 20 20
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  212 43 43
  217 16 16
  219 106 106
  220 16 16
  239 999 999
  240 157 157
  241 16 16
//

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