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MassBank Record: WA000481

Acetaminophen; LC-ESI-Q; MS; POS; 90 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA000481
RECORD_TITLE: Acetaminophen; LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

CH$NAME: Acetaminophen
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H9NO2
CH$EXACT_MASS: 151.06333
CH$SMILES: CC(=O)Nc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
CH$LINK: CAS 103-90-2
CH$LINK: INCHIKEY RZVAJINKPMORJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2020006

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 6.300 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-001i-9200000000-1898551c4c61b18f0b19
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  80 999 999
  81 172 172
  82 55 55
  92 90 90
  93 290 290
  94 35 35
  96 12 12
  106 39 39
  108 39 39
  109 286 286
  110 47 47
  111 59 59
  122 20 20
  144 12 12
  174 12 12
//

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