MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002903
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002903
RECORD_TITLE: O-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$NAME: O-CHLOROPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H5ClO
CH$EXACT_MASS: 128.00289
CH$SMILES: Oc(c1)c(Cl)ccc1
CH$IUPAC: InChI=1S/C6H5ClO/c7-5-3-1-2-4-6(5)8/h1-4,8H
CH$LINK: INCHIKEY
ISPYQTSUDJAMAB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5021544
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: splash10-01t9-9600000000-edc951b535cd8797ecb0
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
14 6.19 62
26 2.11 21
31 2.07 21
32 3.08 31
37 3.69 37
38 12.09 121
39 14.47 145
41 3.43 34
46 3.3 33
50 6.82 68
51 3.44 34
53 2.68 27
54 3.79 38
61 3.92 39
62 7.04 70
63 23.28 233
64 52.33 523
65 18.48 185
70 2.4 24
73 5.98 60
75 3.91 39
92 21.41 214
99 4.61 46
100 3.23 32
108 3.67 37
128 99.99 999
129 8.23 82
130 39.56 396
131 2.73 27
//