ACCESSION: MSBNK-BAFG-CSL23111019265
RECORD_TITLE: Hydrocodone; LC-ESI-QTOF; MS2; 90 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$MASS_SPECTROMETRY: COLLISION_ENERGY 90
AC$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$SPLASH: splash10-0fb9-0900000000-87b5b4f7a13038a04dc8
PK$NUM_PEAK: 58
PK$PEAK: m/z int. rel.int.
  44.0487 5.9 23
  51.0221 3.1 12
  55.0174 4.5 17
  63.0217 3.4 13
  65.037 4 15
  74.0135 3 11
  75.0212 5.5 21
  76.0287 3.6 14
  77.0373 45.6 181
  78.0452 14.7 58
  88.0295 7.1 28
  89.0372 14.8 59
  91.0526 10.7 42
  101.0364 11.3 45
  102.045 48.7 194
  103.0529 6.2 24
  113.0369 19.5 77
  114.0453 52.7 210
  115.0533 198.6 792
  116.0617 6.6 26
  125.0372 2.6 10
  126.0451 33.1 132
  127.0532 156.9 626
  128.0611 250.3 999
  129.044 3.6 14
  129.0682 9.2 36
  131.0481 3.5 13
  139.053 39.9 159
  140.06 8.6 34
  141.0313 5 19
  141.0685 62.3 248
  142.0392 7.6 30
  142.0771 2.6 10
  143.0473 6.5 25
  144.0562 4.5 17
  145.0634 2.6 10
  150.0443 7.1 28
  151.0532 35 139
  152.0609 163.5 652
  153.0691 45.7 182
  154.0758 4.3 17
  155.0488 75.2 300
  156.0557 8.1 32
  157.0622 3.1 12
  163.0535 9.5 37
  164.0606 11.4 45
  165.0688 32.2 128
  168.0554 6 23
  169.0272 8.3 33
  169.0628 11.3 45
  170.0352 18.4 73
  171.0803 2.9 11
  178.0758 3 11
  181.062 11.7 46
  183.0433 33.1 132
  184.0503 3.2 12
  185.0576 6.3 25
  189.0692 2.8 11
//