MassBank Record: MSBNK-EPA-ENTACT_AGILENT002227
ACCESSION: MSBNK-EPA-ENTACT_AGILENT002227
RECORD_TITLE: 1-Hydroxybenzotriazole; ESI-QTOF; MS2; CE: 40; [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 40
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: splash10-03di-9000000000-2066c400bf1d887da76b
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
38.015101 9.184732 91
39.022927 1.3268 13
41.026001 15.198244 151
50.015101 1.16577 11
51.022927 7.510713 75
52.018175 48.727592 486
53.038577 3.461157 34
62.015101 5.83985 58
63.022927 99.999998 999
63.994366 1.281435 12
64.030752 64.043803 639
65.026001 21.256662 212
76.018175 2.980725 29
77.038577 6.497856 64
90.033826 1.016519 10
91.041651 25.269918 252
//