ACCESSION: MSBNK-BAFG-CSL23111019262
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60
AC$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$SPLASH: splash10-0v6v-0900000000-0836b320a02f17189599
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  44.0487 9.5 53
  55.0172 8.1 45
  77.0376 4.5 25
  91.0534 3.4 19
  102.0449 4.6 25
  103.0525 3.3 18
  114.0456 4.6 25
  115.0529 76.4 428
  116.0612 3.1 17
  126.0428 2.8 15
  127.0536 29.6 166
  128.0609 178 999
  129.0678 17.8 99
  131.0468 3.3 18
  137.0574 2.1 11
  139.0523 5.9 33
  140.0601 4.7 26
  141.0688 123 690
  142.04 2.9 16
  142.076 10 56
  143.0471 6.5 36
  143.084 7.1 39
  144.0563 18.5 103
  145.0633 5.1 28
  151.0545 10.4 58
  152.0607 75.4 423
  153.0686 122.3 686
  154.0758 21.9 122
  155.048 35.1 196
  155.083 18.3 102
  156.0558 60.8 341
  157.0632 7.8 43
  158.0714 7.6 42
  159.0783 2.8 15
  161.0578 3.8 21
  164.0607 2.2 12
  165.0684 61.1 342
  166.0745 5.7 31
  167.0844 4.9 27
  168.0558 21.6 121
  169.0284 1.8 10
  169.0642 32.9 184
  170.036 27.2 152
  170.0709 30.1 168
  171.0475 5.2 29
  171.0791 174.2 977
  172.0474 5.6 31
  178.0802 3.8 21
  179.084 2.8 15
  181.0636 46.8 262
  182.0719 15.9 89
  183.0429 79.4 445
  183.0747 7.7 43
  184.0513 26.4 148
  185.0586 61 342
  185.0932 9 50
  186.0676 4.2 23
  187.0762 3.8 21
  189.0705 2.3 12
  193.0632 5.8 32
  194.0702 6.6 37
  195.0783 5.8 32
  197.0574 13.8 77
  198.0655 48.4 271
  199.0748 123.2 691
  200.0774 3.2 17
  210.0673 5.4 30
  211.0719 4.4 24
  212.0804 3.4 19
  213.0898 17.9 100
  225.0899 3.7 20
  241.0846 3.5 19
//