ACCESSION: MSBNK-EPA-ENTACT_AGILENT000047
RECORD_TITLE: 4-Methylaniline; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Methylaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉N
CH$EXACT_MASS: 107.0734992945
CH$SMILES: CC1=CC=C(N)C=C1
CH$IUPAC: InChI=1S/C7H9N/c1-6-2-4-7(8)5-3-6/h2-5H,8H2,1H3
CH$LINK: CAS 106-49-0
CH$LINK: INCHIKEY RZXMPPFPUUCRFN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7813

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$FOCUSED_ION: PRECURSOR_M/Z 108.0807757462
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9100000000-b92fece6c0032b74115a
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  39.022927 2.528567 25
  41.038577 1.847429 18
  65.038577 37.47075 374
  66.046402 2.57804 25
  91.054227 98.308369 982
  93.057301 100.000003 999
  107.072951 1.055261 10
  108.080776 27.331537 273
//