ACCESSION: MSBNK-EPA-ENTACT_AGILENT000253
RECORD_TITLE: 5-Amino-2-methylphenol; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 5-Amino-2-methylphenol
CH$NAME: DTXSID9024489
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₉NO
CH$EXACT_MASS: 123.0684139168
CH$SMILES: CC1C=CC(N)=CC=1O
CH$IUPAC: InChI=1S/C7H9NO/c1-5-2-3-6(8)4-7(5)9/h2-4,9H,8H2,1H3
CH$LINK: CAS 2835-95-2
CH$LINK: INCHIKEY DBFYESDCPWWCHN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:17818

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$FOCUSED_ION: PRECURSOR_M/Z 124.0756903685
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9100000000-81bc99604978343fb482
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39.022927 7.442564 74
  41.026001 1.444606 14
  41.038577 3.302065 32
  42.033826 10.80198 107
  42.046402 1.035731 10
  43.017841 2.020073 20
  51.022927 35.313872 352
  53.038577 18.815701 187
  54.033826 2.131309 21
  54.046402 1.072005 10
  55.017841 1.464962 14
  62.015101 1.082335 10
  63.022927 2.693716 26
  64.030752 6.025204 60
  65.038577 3.660867 36
  66.046402 1.200428 11
  69.033491 4.221291 42
  70.02874 2.037921 20
  77.038577 35.117148 350
  78.046402 2.737253 27
  79.054227 1.340667 13
  80.049476 99.999996 999
  81.033491 3.278662 32
  81.057301 12.654658 126
  82.041316 3.646196 36
  91.041651 1.469944 14
  92.025666 1.687042 16
  94.02874 1.032675 10
  106.065126 3.689747 36
  108.04439 8.828885 88
  109.052215 20.263116 202
//