MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005703
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005703
RECORD_TITLE: 1,2-BENZENEDIOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 1,2-BENZENEDIOL
CH$NAME: PYROCATECHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O2
CH$EXACT_MASS: 110.03678
CH$SMILES: Oc(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
CH$LINK: CAS
120-80-9
CH$LINK: INCHIKEY
YCIMNLLNPGFGHC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3020257
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-7900000000-83f892852c355a3863e9
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
26 1.49 15
27 4.35 44
28 0.49 5
29 1.96 20
37 1.11 11
38 2.44 24
39 3.88 39
40 0.32 3
49 0.76 8
50 2.63 26
51 3.03 30
52 2.25 23
53 5.5 55
54 2.06 21
55 2.86 29
61 0.73 7
62 1.5 15
63 9.68 97
64 19.27 193
65 1.48 15
66 0.51 5
79 0.44 4
80 0.33 3
81 8.3 83
82 3.04 30
92 6.55 66
93 0.57 6
109 1.89 19
110 99.99 999
111 7.26 73
112 0.61 6
//
system version 2.2.8-SNAPSHOT