MassBank Record: MSBNK-EPA-ENTACT_AGILENT000368
ACCESSION: MSBNK-EPA-ENTACT_AGILENT000368
RECORD_TITLE: 1,5-Dihydroxynaphthalene; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY
CH$NAME: 1,5-Dihydroxynaphthalene
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H8O2
CH$EXACT_MASS: 160.0524294998
CH$SMILES: OC1C=CC=C2C=1C=CC=C2O
CH$IUPAC: InChI=1S/C10H8O2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
CH$LINK: CAS
83-56-7
CH$LINK: INCHIKEY
BOKGTLAJQHTOKE-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:6749
AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40
MS$FOCUSED_ION: PRECURSOR_M/Z 159.0451530481
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0
PK$SPLASH: splash10-014i-4900000000-088af568d854590a7e01
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
41.003288 44.938236 448
49.008374 3.07985 30
53.003288 1.614618 16
65.039674 3.733355 37
75.024024 1.169909 11
77.039674 1.950338 19
88.031849 4.31436 43
93.034588 1.680138 16
101.039674 2.542771 25
102.047499 4.173425 41
103.055324 3.200075 31
114.047499 2.892256 28
115.055324 100 999
130.042413 7.489261 74
131.050238 3.90796 39
158.037328 8.922187 89
//