MassBank Record: MSBNK-Waters-WA002332
ACCESSION: MSBNK-Waters-WA002332
RECORD_TITLE: Phenacetin; LC-ESI-Q; MS; POS; 75 V, 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenacetin
CH$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 75 V, 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-08gi-0900000000-be4b83171ff791fd8b34
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
106 576 576
107 47 47
108 71 71
109 560 560
110 999 999
111 309 309
112 24 24
118 39 39
121 27 27
122 16 16
133 219 219
134 474 474
135 43 43
138 16 16
151 16 16
152 12 12
//