ACCESSION: MSBNK-BAFG-CSL23111019264
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 80 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$MASS_SPECTROMETRY: COLLISION_ENERGY 80
AC$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$SPLASH: splash10-0fvi-0900000000-4ec5b8f0d9b94fa78030
PK$NUM_PEAK: 55
PK$PEAK: m/z int. rel.int.
  44.0487 6.9 24
  55.0173 3.4 12
  77.0373 21.4 77
  78.0447 8.5 30
  88.0297 2.8 10
  89.0373 6.2 22
  91.0526 9.5 34
  101.0369 5.5 19
  102.0451 27.1 97
  103.0533 4.3 15
  113.0374 8.9 32
  114.0452 36.9 132
  115.0533 163.9 590
  116.0612 7.5 27
  126.0448 16.4 59
  127.0527 120.6 434
  128.0612 277.5 999
  129.0678 13.3 47
  131.0492 5.5 19
  139.0533 25 90
  140.0595 11.2 40
  141.0332 2.9 10
  141.0684 80.6 290
  142.039 7.3 26
  142.0758 7.7 27
  143.0462 8.5 30
  144.0559 7.4 26
  145.0625 3.3 11
  150.0469 3.4 12
  151.0525 23.7 85
  152.0607 156.7 564
  153.0687 60.8 218
  154.077 7.3 26
  155.0486 83.3 299
  156.0552 18.8 67
  157.0623 3.7 13
  163.0531 5 18
  164.0606 10.8 38
  165.0684 41.2 148
  168.0559 10.2 36
  169.027 7.5 27
  169.0625 18.3 65
  170.0351 31.8 114
  170.0712 4.9 17
  171.0423 4 14
  171.0788 13.8 49
  178.077 3.6 12
  181.0638 16.9 60
  183.0429 66.9 240
  184.0486 7.1 25
  185.058 14.8 53
  189.069 3.1 11
  197.0577 4.7 16
  198.0659 6.8 24
  199.0733 5.5 19
//