ACCESSION: MSBNK-EPA-ENTACT_AGILENT000255
RECORD_TITLE: 5-Amino-2-methylphenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0a4i-4900000000-4dc0b68ac06f597df9a4
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  39.022927 1.406367 14
  53.038577 1.122876 11
  77.038577 34.107745 340
  79.054227 18.200856 181
  80.049476 9.977115 99
  81.057301 4.028225 40
  96.080776 3.036539 30
  106.065126 3.300448 32
  107.049141 29.520055 294
  108.04439 1.718577 17
  109.052215 100.000002 999
  124.07569 13.540586 135
//