MassBank Record: MSBNK-EPA-ENTACT_AGILENT002481
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002481
RECORD_TITLE: Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 10; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 10
MS$FOCUSED_ION: PRECURSOR_M/Z 167.0702706376
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-004i-9000000000-86961a6649586dab1b2d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
45.033491 1.243198 12
57.069877 1.297184 12
61.007276 2.931897 29
63.994366 1.418127 14
69.069877 1.092507 10
79.017841 100.000001 999
79.054227 2.059908 20
80.025666 1.275664 12
107.049141 1.381925 13
107.085527 1.23819 12
149.02332 2.054369 20
//
system version 2.2.8-SNAPSHOT