MassBank Record: MSBNK-EPA-ENTACT_AGILENT000253
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
//