MassBank Record: MSBNK-Waters-WA002334
ACCESSION: MSBNK-Waters-WA002334
RECORD_TITLE: Phenacetin; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenacetin
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H13NO2
CH$EXACT_MASS: 179.09463
CH$SMILES: CCOc(c1)ccc(NC(C)=O)c1
CH$IUPAC: InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
CH$LINK: CAS
62-44-2
CH$LINK: INCHIKEY
CPJSUEIXXCENMM-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021116
AC$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$CHROMATOGRAPHY: RETENTION_TIME 13.670 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0900000000-b0735b229b0435be8835
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
109 24 24
110 999 999
111 90 90
133 16 16
134 47 47
138 392 392
139 35 35
151 12 12
152 63 63
162 20 20
179 16 16
180 302 302
181 31 31
//