MassBank Record: AU156006

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Methamphetamine; LC-ESI-QTOF; MS2; CE: RAMP 16.2-24.3 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU156006
RECORD_TITLE: Methamphetamine; LC-ESI-QTOF; MS2; CE: RAMP 16.2-24.3 eV; R=35000; [M+H]+
DATE: 2016.02.29
AUTHORS: Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2016 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 1560

CH$NAME: Methamphetamine CH$NAME: DL-Methamphetamine CH$NAME: N-methyl-1-phenylpropan-2-amine CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C10H15N CH$EXACT_MASS: 149.1204495 CH$SMILES: CC(Cc1ccccc1)NC CH$IUPAC: InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3 CH$LINK: CAS 537-46-2 CH$LINK: PUBCHEM CID:1206 CH$LINK: INCHIKEY MYWUZJCMWCOHBA-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 1169 CH$LINK: COMPTOX DTXSID3043861
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY RAMP 16.2-24.3 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 4.346 min AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 150.1284 MS$FOCUSED_ION: PRECURSOR_M/Z 150.1277 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 1.99.10
PK$SPLASH: splash10-0006-9100000000-3ac22cd67c3a785570b9 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 58.0644 C3H8N+ 1 58.0651 -12.42 65.0378 C5H5+ 1 65.0386 -12.58 91.055 C7H7+ 1 91.0542 8.65 92.0577 C6[13]CH7+ 1 92.0581 -4.31 119.0863 C9H11+ 1 119.0855 6.78 120.0895 C8[13]CH11+ 1 120.0894 0.82 150.1276 C10H16N+ 1 150.1277 -0.79 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 58.0644 8308 7 65.0378 7332 6 91.055 1142648 999 92.0577 135404 118 119.0863 92756 81 120.0895 8612 7 150.1276 46828 40 //