ACCESSION: MSBNK-EPA-ENTACT_AGILENT000046
RECORD_TITLE: 4-Methylaniline; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-014r-9000000000-17dd24c185b5ecd4ccf3
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  39.022927 60.309329 602
  40.030752 1.072888 10
  41.038577 19.024691 190
  50.015101 2.527373 25
  51.022927 13.28548 132
  54.033826 2.987652 29
  62.015101 4.883584 48
  63.022927 15.140199 151
  65.038577 100.000001 999
  66.046402 18.563309 185
  67.041651 1.746345 17
  78.033826 1.756316 17
  89.038577 1.121522 11
  91.054227 6.982471 69
  92.049476 6.480544 64
  93.057301 17.134126 171
//