ACCESSION: MSBNK-BAFG-CSL23111019267
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 110 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$MASS_SPECTROMETRY: COLLISION_ENERGY 110
AC$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$SPLASH: splash10-0fb9-3900000000-a764dff413997a44e5b2
PK$NUM_PEAK: 51
PK$PEAK: m/z int. rel.int.
  39.0218 4.7 35
  44.0482 4.1 30
  50.0139 3.4 25
  51.0221 10.9 81
  55.0187 1.5 11
  61.0059 3.2 24
  62.0141 8.1 60
  63.0214 12.3 92
  65.0375 9.8 73
  73.0054 2 15
  74.0135 12.9 96
  75.0215 21.8 163
  76.0296 11.9 89
  77.0373 68.2 511
  78.045 22.1 165
  86.0142 4.1 30
  87.0208 5.9 44
  88.0298 19.9 149
  89.0374 31.9 239
  91.0529 7 52
  98.0136 2.6 19
  99.0224 2.3 17
  100.0284 1.5 11
  101.0375 20.5 153
  102.0451 58.3 437
  103.0536 3.3 24
  113.037 34.1 255
  114.0446 33.2 249
  115.0529 133.2 999
  125.0371 3.8 28
  126.0448 54.8 411
  127.0529 91.1 683
  128.0608 75.3 564
  129.0436 5.1 38
  129.0689 1.4 10
  131.0478 1.4 10
  139.0527 38.1 285
  140.0589 1.6 12
  141.0314 2.2 16
  141.0687 17.1 128
  142.0396 1.5 11
  150.0463 15.5 116
  151.0533 35.6 267
  152.0606 79.1 593
  153.0684 8.2 61
  155.0527 20.2 151
  163.0526 9.9 74
  164.0608 6 45
  165.0677 9.3 69
  169.0616 1.4 10
  179.0596 1.7 12
//