MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002904
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002904
RECORD_TITLE: P-CHLOROPHENOL; 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$NAME: P-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5ClO
CH$EXACT_MASS: 128.00289
CH$SMILES: Oc(c1)ccc(Cl)c1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H
CH$LINK: INCHIKEY
WXNZTHHGJRFXKQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021871
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: splash10-004i-9800000000-3a8b74727039919cacc4
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
18 2.23 22
31 2.24 22
32 2.28 23
37 5.97 60
38 7.7 77
39 15.47 155
46 4.41 44
49 2.52 25
50 5.33 53
51 2.58 26
53 4.81 48
55 2.04 20
61 4.76 48
62 6.57 66
63 12.44 124
64 17.41 174
65 33.08 331
66 3.54 35
73 7.64 76
74 3.12 31
75 4.74 47
92 2.79 28
93 4.15 42
99 6.09 61
100 10.32 103
101 3.03 30
102 4.19 42
128 99.99 999
129 7.26 73
130 34.22 342
131 2.27 23
//
system version 2.2.6-SNAPSHOT