ACCESSION: MSBNK-BAFG-CSL23111018182
RECORD_TITLE: Fenpropidin; LC-ESI-QTOF; MS2; 130 V
DATE: 2023.11.10
AUTHORS: Kevin S. Jewell; Björn Ehlig; Arne Wick
LICENSE: dl-de/by-2-0
COPYRIGHT: Copyright 2023 Federal Institute of Hydrology, Koblenz, Germany
COMMENT: CONFIDENCE Reference Standard (Level 1)
COMMENT: Chromatography method: dx.doi.org/10.1016/j.chroma.2015.11.014
COMMENT: Acquisition method: 10.1002/rcm.8541

CH$NAME: Fenpropidin
CH$COMPOUND_CLASS: Fungicide
CH$FORMULA: C₁₉H₃₁N
CH$EXACT_MASS: 273.2456
CH$SMILES: CC(CC1=CC=C(C=C1)C(C)(C)C)CN2CCCCC2
CH$IUPAC: InChI=1S/C19H31N/c1-16(15-20-12-6-5-7-13-20)14-17-8-10-18(11-9-17)19(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3
CH$LINK: CAS 67306-00-7
CH$LINK: INCHIKEY MGNFYQILYYYUBS-UHFFFAOYSA-N

AC$INSTRUMENT: TripleTOF 6600 SCIEX
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: COLUMN_NAME Zorbax Eclipse Plus C18 2.1 mm x 150 mm, 3.5 um, Agilent
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 40 °C
AC$CHROMATOGRAPHY: FLOW_GRADIENT 0 min min 98% A, 1 min 98% A, 2 min 80% A, 16.5 min 2% A, 22 min 2% A, 22.1 min 98% A, 27 min 98% A
AC$CHROMATOGRAPHY: FLOW_RATE 0.3 mL/min
AC$CHROMATOGRAPHY: RETENTION_TIME 9.471 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 274.2529
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: COMMENT Export with Spectra 1.9.12 MsBackendMassbank 1.7.4
MS$DATA_PROCESSING: WHOLE RMassBank 2.3.1

PK$SPLASH: splash10-014u-9200000000-a88e7c3ef34b84cdc9bd
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  30.0345 3 16
  35.9998 4.8 26
  37.0076 29.7 166
  38.0033 2.3 12
  38.0151 21 117
  39.0232 104.8 587
  41.0387 15.5 86
  42.0341 2.9 16
  49.0086 2.7 15
  50.0153 22.5 126
  51.0232 50.2 281
  52.0304 5 28
  53.0383 2 11
  56.0499 6.2 34
  59.9995 3.5 19
  61.0069 8.7 48
  62.0147 17.4 97
  63.0227 39.7 222
  65.0387 125.3 702
  74.0145 10.2 57
  75.0226 9.1 50
  76.0301 6.9 38
  77.0385 65.1 364
  78.0459 20 112
  79.0531 3.5 19
  84.0808 2.3 12
  86.0158 2 11
  87.0213 3.1 17
  89.0384 50 280
  91.0543 165.1 925
  102.0455 14.1 79
  103.054 10.5 58
  105.0692 1.9 10
  114.0452 2.3 12
  115.0541 178.3 999
  116.0614 8.8 49
  117.0705 8 44
  127.0539 3.1 17
  128.0614 7.9 44
//