MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP003648
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003648
RECORD_TITLE: HYDROQUINONE; 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$NAME: HYDROQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O2
CH$EXACT_MASS: 110.03678
CH$SMILES: Oc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
CH$LINK: COMPTOX
DTXSID7020716
CH$LINK: INCHIKEY
QIGBRXMKCJKVMJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:785
AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03di-9800000000-c90fd4986fea9691ecbf
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
38 4.9 49
39 16.9 169
41 2.2 22
42 0.1 1
43 1.9 19
49 2 20
50 5.6 56
51 0.78 8
52 5.5 55
53 26.1 261
54 12.5 125
55 2.25 23
61 3.7 37
62 4.2 42
63 6.9 69
64 0.43 4
65 3 30
66 2.2 22
69 2.7 27
81 2.22 22
82 9.3 93
91 2.1 21
109 5.2 52
110 99.99 999
111 6 60
//