ACCESSION: MSBNK-BAFG-CSL23111019271
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 150 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$MASS_SPECTROMETRY: COLLISION_ENERGY 150
AC$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$SPLASH: splash10-0209-9300000000-b06272843bdf65a03444
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  37.0061 2.8 76
  38.0142 2.6 70
  39.0226 10.6 288
  41.0381 0.4 10
  42.0328 0.8 21
  44.0482 1.2 32
  49.0065 2.1 57
  50.0143 15.6 424
  51.022 24.9 677
  52.0296 1.8 48
  59.9986 2.9 78
  61.0058 11.2 304
  62.0144 22.5 612
  63.0221 27.3 743
  65.0372 5.9 160
  73.0057 5.5 149
  74.0138 36.7 999
  75.0212 26.5 721
  76.0301 13.8 375
  77.0375 27.6 751
  78.0455 5.9 160
  83.9989 1.1 29
  85.005 6.3 171
  86.0134 14.3 389
  87.0214 16.1 438
  88.0297 7.5 204
  89.0371 21.8 593
  91.053 1.4 38
  97.0056 0.9 24
  98.0139 9.9 269
  99.0206 3.2 87
  100.0299 1.8 48
  101.0371 4.5 122
  102.0455 12.1 329
  109.0065 0.6 16
  110.0123 1.9 51
  111.0211 1.4 38
  113.0367 14.9 405
  114.0456 2 54
  115.0528 19.7 536
  122.0124 1 27
  125.037 2.1 57
  126.0447 18 489
  127.0532 7.6 206
  128.0612 4.3 117
  129.0434 1.4 38
  137.0363 1.4 38
  138.0442 1 27
  139.0526 8.5 231
  140.0484 0.6 16
  149.0372 1.5 40
  150.0452 12.9 351
  151.0528 9.1 247
  152.0586 8 217
  155.0555 1 27
  161.0384 1 27
  162.045 0.9 24
  163.0542 2.8 76
  164.0605 0.6 16
//