MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011056
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011056
RECORD_TITLE: BENZHYDROL; 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$NAME: BENZHYDROL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H12O
CH$EXACT_MASS: 184.08882
CH$SMILES: c(c2)ccc(c2)C(O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H12O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13-14H
CH$LINK: CAS
91-01-0
CH$LINK: INCHIKEY
QILSFLSDHQAZET-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2059015
AC$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: splash10-057i-8900000000-1e9a474626dc4828f2e1
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
18 1.05 11
26 1.04 10
27 5.55 56
29 3.42 34
38 2.03 20
39 8.33 83
50 11.27 113
51 29.18 292
52 5.97 60
53 2.59 26
62 1.96 20
63 1.05 11
74 3.8 38
75 2.99 30
76 3.42 34
77 55.18 552
78 40.54 405
79 35.69 357
80 2.34 23
87 1.04 10
89 1.53 15
105 99.99 999
106 11.24 112
107 14.64 146
108 1.08 11
115 2.4 24
128 1.35 14
139 1.37 14
152 3.09 31
153 1.51 15
155 2.8 28
165 8.67 87
166 3.8 38
167 5.57 56
168 1.42 14
183 16.1 161
184 50.54 505
185 7.03 70
//
system version 2.2.6-SNAPSHOT