MassBank Record: MSBNK-Waters-WA000483
ACCESSION: MSBNK-Waters-WA000483
RECORD_TITLE: Acetaminophen; LC-ESI-Q; MS; POS; 60 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 60 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-4900000000-3815b55fee7e83572954
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
80 24 24
82 145 145
92 282 282
93 235 235
94 12 12
106 12 12
109 43 43
110 999 999
111 357 357
112 12 12
133 16 16
134 71 71
152 31 31
//
system version 2.2.6-SNAPSHOT