ACCESSION: MSBNK-BAFG-CSL23111019261
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50
AC$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$SPLASH: splash10-0002-0910000000-1945fce51047f33bfc7a
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  44.0492 14 23
  55.0169 9.9 16
  115.0527 28.7 48
  127.0538 9.1 15
  128.0605 72.6 121
  129.0684 14.5 24
  137.0581 7.8 13
  141.0686 109.1 183
  143.0844 11.1 18
  144.0546 11.9 19
  152.0609 24 40
  153.0688 103 172
  154.0764 18.8 31
  155.0505 8.6 14
  155.0833 28.2 47
  156.0549 41.3 69
  157.0613 9.3 15
  158.0714 10.2 17
  159.0799 6.3 10
  161.0573 6.3 10
  165.0684 61.7 103
  166.0757 6.2 10
  167.0841 6.1 10
  168.0562 15.6 26
  169.0651 17.5 29
  170.0337 8.3 13
  170.0714 35.6 59
  171.0792 322.6 541
  172.0511 6.8 11
  181.0634 98.1 164
  182.0722 23.7 39
  183.0438 26.1 43
  183.0781 45.3 76
  184.05 21.5 36
  185.0593 92 154
  185.0917 32.2 54
  186.0696 12.8 21
  187.0742 15.7 26
  193.0632 11.6 19
  194.0714 12.4 20
  195.0801 10.4 17
  197.0596 11.7 19
  197.0946 7.3 12
  198.0665 65.9 110
  199.0746 594.8 999
  200.0807 9.5 15
  201.0905 8.4 14
  210.0658 10.2 17
  211.0738 11 18
  212.0823 9.2 15
  213.0895 84.2 141
  215.1065 7.6 12
  225.0904 22.8 38
  241.0871 57 95
  243.1015 14.5 24
  285.1343 6.2 10
  300.1599 38.7 64
//