MassBank Record: MSBNK-EPA-ENTACT_AGILENT000255
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
//