MassBank Record: MSBNK-EPA-ENTACT_AGILENT002482
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002482
RECORD_TITLE: Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: Methyl 4-methoxybenzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.0629941859
CH$SMILES: COC(=O)C1C=CC(=CC=1)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: CAS
121-98-2
CH$LINK: INCHIKEY
DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:8499
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20
MS$FOCUSED_ION: PRECURSOR_M/Z 167.0702706376
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-004i-9000000000-8a25e6955167ee75be3f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
41.038577 3.455558 34
55.054227 1.209359 12
57.069877 8.117593 81
61.007276 12.528885 125
62.015101 3.284769 32
63.994366 21.907247 218
64.015495 2.39518 23
79.017841 99.999998 999
79.054227 1.729674 17
107.049141 2.491486 24
149.02332 1.67806 16
//