ACCESSION: MSBNK-BAFG-CSL23111019263
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 70 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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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$SPLASH: splash10-0fvi-0900000000-147b1321eb39dbfc3fb6
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  44.0486 7.9 28
  55.0169 4.2 15
  77.0373 10.8 39
  78.0457 2.9 10
  89.0386 3.3 12
  91.0524 6.9 25
  102.0451 11.6 42
  103.0531 4.9 17
  113.0369 3.7 13
  114.0453 20.2 73
  115.053 128.3 468
  116.0607 7.7 28
  126.0448 6.8 24
  127.0531 72.8 266
  128.061 273.3 999
  129.0684 16.1 58
  131.0478 4.3 15
  139.0539 17.1 62
  140.0611 8.7 31
  141.0688 109.6 400
  142.0407 7.3 26
  142.0762 9.5 34
  143.0482 10.6 38
  143.0818 3 10
  144.0571 15.8 57
  145.0617 4.2 15
  151.0533 19.5 71
  152.0608 133 486
  153.0688 94.7 346
  154.0755 13.2 48
  155.0483 68.1 248
  155.0852 5.9 21
  156.0552 36.7 134
  157.0639 7.8 28
  158.0725 4.7 17
  164.0596 6.8 24
  165.0683 52 190
  166.0759 3.7 13
  167.0827 2.8 10
  168.0567 17.7 64
  169.0261 5 18
  169.0635 30.5 111
  170.0347 37.7 137
  170.0718 12.1 44
  171.0427 5.5 20
  171.079 53.4 195
  178.0768 4.8 17
  181.0634 30.5 111
  182.0707 8.2 29
  183.0432 99 361
  184.0503 17.1 62
  185.0584 34.5 126
  189.0656 3 10
  193.0627 3.8 13
  197.0592 8.9 32
  198.067 21 76
  199.0741 23.2 84
//