ACCESSION: MSBNK-BAFG-CSL23111019269
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 130 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$MASS_SPECTROMETRY: COLLISION_ENERGY 130
AC$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$SPLASH: splash10-004i-8900000000-6aad349f899d3dd27a33
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  37.0063 1.1 19
  38.0145 1.1 19
  39.0224 5.8 102
  42.0331 0.8 14
  44.0485 1.4 24
  49.0074 1.2 21
  50.0144 10 175
  51.022 20.4 358
  52.0301 1.9 33
  59.9985 2 35
  61.0059 7.7 135
  62.0141 15.7 276
  63.0218 25.6 450
  65.0372 9.1 160
  73.0055 3.9 68
  74.0136 27.7 487
  75.0216 27.3 480
  76.029 18.1 318
  77.0376 47.9 842
  78.0441 13.1 230
  83.9972 0.8 14
  85.0053 2.6 45
  86.0137 9.7 170
  87.0214 13.1 230
  88.0293 15.8 277
  89.0372 26.5 466
  91.0536 4.5 79
  98.0135 5.4 94
  99.0211 3.4 59
  100.0279 1.8 31
  101.0379 9.4 165
  102.045 29.8 524
  103.052 0.6 10
  105.042 0.6 10
  109.0056 0.7 12
  110.0131 0.6 10
  111.0222 0.6 10
  113.037 29.2 513
  114.0447 10.3 181
  115.0532 56.8 999
  122.0121 0.6 10
  125.0375 2.4 42
  126.0452 36.1 634
  127.0525 29.1 511
  128.06 16.3 286
  129.0421 2.3 40
  137.0377 1.2 21
  138.0428 1 17
  139.0518 22.9 402
  140.0542 0.8 14
  141.0679 3.4 59
  149.0403 1.1 19
  150.0446 19 334
  151.0524 25.3 444
  152.0601 27.3 480
  155.0578 3.7 65
  162.0479 2 35
  163.052 7.3 128
  164.0593 1.9 33
  165.0679 2 35
  176.0641 0.7 12
  179.0589 0.8 14
//