ACCESSION: MSBNK-BAFG-CSL23111019272
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 40 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$NAME: Hydrocodone
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₈H₂₁NO₃
CH$EXACT_MASS: 299.1521
CH$SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=O)CC4
CH$IUPAC: InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3,6,11-12,17H,4-5,7-9H2,1-2H3
CH$LINK: CAS 125-29-1
CH$LINK: INCHIKEY LLPOLZWFYMWNKH-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$MASS_SPECTROMETRY: COLLISION_ENERGY 40
AC$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 5.331 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 300.1594
MS$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$SPLASH: splash10-0f6t-0922000000-d20955cdd7b7d74caa0f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  44.0488 7.8 11
  115.0533 12.8 19
  128.0605 33.5 50
  141.0687 59.7 89
  152.0606 12.5 18
  153.0692 52.7 79
  154.0766 9 13
  155.0842 19.1 28
  156.0553 21.2 31
  157.0625 6.7 10
  165.0683 39.1 58
  168.0558 8.6 12
  169.0635 11.2 16
  170.0715 20.2 30
  171.0792 184.1 276
  181.0637 74.5 111
  182.071 11.8 17
  183.0445 14 21
  183.0794 59.5 89
  184.051 8.2 12
  185.0586 61.8 92
  185.0938 18.5 27
  186.0665 9.4 14
  187.0739 15.2 22
  193.0655 12.3 18
  194.0721 7.4 11
  195.0796 7.2 10
  197.0943 9.5 14
  198.067 39.2 58
  199.0743 665 999
  200.0811 7.3 10
  201.0892 7.6 11
  211.0737 13.7 20
  213.0897 101.2 152
  215.1052 9.9 14
  225.0906 34.6 51
  241.0854 116.8 175
  243.1013 49.7 74
  257.1156 18.1 27
  285.1346 17.1 25
  300.1597 426.9 641
//