ACCESSION: MSBNK-BAFG-CSL23111018576
RECORD_TITLE: Meperidine; LC-ESI-QTOF; MS2; 70 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$NAME: Meperidine
CH$COMPOUND_CLASS: Pharmaceutical
CH$FORMULA: C₁₅H₂₁NO₂
CH$EXACT_MASS: 247.1572
CH$SMILES: CCOC(=O)C1(CCN(CC1)C)C2=CC=CC=C2
CH$IUPAC: InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
CH$LINK: CAS 57-42-1
CH$LINK: INCHIKEY XADCESSVHJOZHK-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$MASS_SPECTROMETRY: COLLISION_ENERGY 70
AC$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 6.573 min
AC$CHROMATOGRAPHY: SOLVENT A: Water 0.1% Formic acid, B: Acetonitrile 0.1% Formic acid

MS$FOCUSED_ION: PRECURSOR_M/Z 248.1645
MS$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$SPLASH: splash10-00kf-9500000000-d013d022e33ecc57c6fd
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  39.0227 11.6 21
  41.0381 8.9 16
  42.0337 169.6 312
  43.0409 8.2 15
  44.0493 143.4 263
  51.0226 15.1 27
  53.0379 13.8 25
  55.0537 10.3 18
  57.0568 9.1 16
  58.0642 6.3 11
  63.0219 6.1 11
  65.038 81.2 149
  68.049 7 12
  70.0647 152.2 280
  77.0381 264.5 486
  79.0534 23.1 42
  80.0486 8.6 15
  81.0564 9.9 18
  82.0645 31.9 58
  89.0377 15.1 27
  91.0535 543 999
  94.0643 12.7 23
  96.0801 31.4 57
  102.045 17.9 32
  103.0537 265.8 489
  105.0416 6.6 12
  105.0698 19.4 35
  115.0535 278.9 513
  116.0615 74 136
  117.0679 20.1 36
  127.0533 29.9 55
  128.0612 103.3 190
  129.0688 39.5 72
  130.0743 6.2 11
  131.0836 12 22
  143.0723 9.1 16
  158.0949 9.1 16
  167.0725 5.5 10
  174.1268 16.3 29
//