MassBank Record: MSBNK-EPA-ENTACT_AGILENT002226
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002226
RECORD_TITLE: 1-Hydroxybenzotriazole; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: 1-Hydroxybenzotriazole
CH$NAME: DTXSID3044627
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5N3O
CH$EXACT_MASS: 135.043261804
CH$SMILES: ON1N=NC2C=CC=CC1=2
CH$IUPAC: InChI=1S/C6H5N3O/c10-9-6-4-2-1-3-5(6)7-8-9/h1-4,10H
CH$LINK: CAS
2592-95-2
CH$LINK: INCHIKEY
ASOKPJOREAFHNY-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:75771
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$FOCUSED_ION: PRECURSOR_M/Z 136.0505382557
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-0006-9200000000-181e5fb2832ffdbcca90
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
41.026001 2.968162 29
52.018175 3.615529 36
53.038577 9.653083 96
63.022927 5.254939 52
64.030752 18.64295 186
65.026001 2.211884 22
77.038577 5.093286 50
78.046402 5.871809 58
80.049476 3.79506 37
90.033826 1.002755 10
91.041651 100.000004 999
119.047799 16.755773 167
136.050538 30.937565 309
//