MassBank Record: MSBNK-Waters-WA000481
ACCESSION: MSBNK-Waters-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
//