MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011633
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011633
RECORD_TITLE: DIPHENYLACETIC ACID; 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$NAME: DIPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C14H12O2
CH$EXACT_MASS: 212.08373
CH$SMILES: OC(=O)C(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C14H12O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
CH$LINK: CAS
117-34-0
CH$LINK: NIKKAJI
J38.187J
CH$LINK: INCHIKEY
PYHXGXCGESYPCW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0059453
AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-014i-0910000000-5402c61b553fa7bf5889
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
18 1.35 14
39 1.67 17
51 1.8 18
63 1.79 18
77 1.72 17
82 3.5 35
83 3.35 34
89 1.3 13
91 1 10
115 2.47 25
128 1.61 16
139 1.98 20
151 1.14 11
152 13.38 134
153 2.63 26
163 1.61 16
164 1.99 20
165 27.95 280
166 9.85 99
167 99.99 999
168 18.27 183
169 1.44 14
212 29.07 291
213 4.47 45
//