MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010820
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010820
RECORD_TITLE: 4-PHENYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: FUJISE Y, HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA
CH$NAME: 4-PHENYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O
CH$EXACT_MASS: 170.07316
CH$SMILES: Oc(c2)ccc(c2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H10O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H
CH$LINK: INCHIKEY
YXVFYQXJAXKLAK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7021152
AC$INSTRUMENT: JEOL JMS-D-3000
AC$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$SPLASH: splash10-00di-2900000000-9ec8cd015770dba15957
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
44 1.63 16
50 1.53 15
51 2.94 29
55 3.53 35
57 2.09 21
58 1.21 12
62 1.46 15
63 3.83 38
65 1.54 15
70 1.97 20
71 1.08 11
72 3.46 35
74 1.01 10
75 1.54 15
76 3.26 33
77 2.12 21
84 4.5 45
85 10.36 104
86 1.4 14
89 1.98 20
102 1.24 12
115 10.24 102
116 1.44 14
139 4.23 42
140 1.19 12
141 13.7 137
142 2.08 21
151 1.48 15
152 1.88 19
153 1.36 14
168 2 20
169 7.78 78
170 99.99 999
171 13.29 133
172 1.08 11
//