MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010906
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010906
RECORD_TITLE: O-PHENYLPHENOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: O-PHENYLPHENOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H10O
CH$EXACT_MASS: 170.07316
CH$SMILES: Oc(c2)c(ccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
CH$LINK: INCHIKEY
LLEMOWNGBBNAJR-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021151
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-00xr-2900000000-0395543c94def63fbf1c
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
27 2.7 27
38 1.4 14
39 9.5 95
50 4.7 47
51 7.8 78
52 1.6 16
53 1 10
57 2 20
62 3.9 39
63 10.1 101
64 2 20
65 3 30
69 1.4 14
70 2.2 22
71 1.8 18
74 3.6 36
75 4 40
76 3 30
77 4.8 48
78 1.1 11
84 1.3 13
85 2.1 21
86 1.5 15
87 2.4 24
88 1.4 14
89 5.5 55
91 1.3 13
102 3.6 36
113 1.8 18
114 1.7 17
115 29.8 298
116 3.8 38
126 1 10
139 9.2 92
140 2 20
141 33.1 331
142 10.6 106
144 1.1 11
151 1.1 11
152 1.2 12
155 1.4 14
168 5.1 51
169 56.3 563
170 99.99 999
171 12.6 126
//