MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011077
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011077
RECORD_TITLE: CHLOROHYDROQUINONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: CHLOROHYDROQUINONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5ClO2
CH$EXACT_MASS: 143.99781
CH$SMILES: Oc(c1)cc(Cl)c(O)c1
CH$IUPAC: InChI=1S/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
CH$LINK: CAS
615-67-8
CH$LINK: INCHIKEY
AJPXTSMULZANCB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4060656
AC$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: splash10-0f6x-9800000000-69fa8db44eeaa8c39603
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
25 1.01 10
26 3.77 38
27 4.04 40
28 1 10
29 3.54 35
37 1.56 16
38 1.43 14
39 1.97 20
49 1.36 14
50 4.82 48
51 13.79 138
52 40.8 408
53 14.81 148
54 4.05 41
55 4.34 43
60 1.89 19
61 2.99 30
62 3.14 31
63 3.82 38
69 1.88 19
72 2.19 22
73 1.56 16
79 4.94 49
80 25.75 258
81 10.63 106
82 1.47 15
86 1.25 13
87 1.78 18
89 1.47 15
107 1.45 15
108 3.1 31
109 1.26 13
110 5.97 60
114 1.16 12
115 3.46 35
117 1.11 11
143 2.59 26
144 99.99 999
145 7.67 77
146 32.98 330
147 2.18 22
//