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MassBank Record: MSBNK-Waters-WA000123

Fenoxycarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: MSBNK-Waters-WA000123
RECORD_TITLE: Fenoxycarb; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Fenoxycarb
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C17H19NO4
CH$EXACT_MASS: 301.13141
CH$SMILES: CCOC(=O)NCCOc(c2)ccc(c2)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C17H19NO4/c1-2-20-17(19)18-12-13-21-14-8-10-16(11-9-14)22-15-6-4-3-5-7-15/h3-11H,2,12-13H2,1H3,(H,18,19)
CH$LINK: CAS 72490-01-8
CH$LINK: INCHIKEY HJUFTIJOISQSKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7032393

AC$INSTRUMENT: QuattroPremier XE, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 302.2
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-000i-9100000000-1dd1ee0d6f517e101c82
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  65 20 20
  70 55 55
  77 39 39
  87 999 999
  89 39 39
  93 31 31
  106 12 12
  109 8 8
  115 16 16
  116 8 8
  118 8 8
  119 16 16
  129 24 24
  141 16 16
  157 8 8
  165 12 12
  186 12 12
//

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