MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009209
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009209
RECORD_TITLE: PHENYLACETIC ACID; 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$NAME: PHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: OC(=O)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
CH$LINK: INCHIKEY
WLJVXDMOQOGPHL-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2021656
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$SPLASH: splash10-0006-9100000000-de65c7c0092343a4e599
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 1.19 12
38 2.03 20
39 11.11 111
41 1.38 14
45 3.56 36
50 3.11 31
51 5.05 51
52 1.73 17
62 2.05 21
63 6.51 65
64 1.82 18
65 15.59 156
66 1.07 11
77 2.33 23
89 4.25 43
90 2.93 29
91 99.99 999
92 20.12 201
93 1.02 10
136 30.07 301
137 2.35 24
//
system version 2.2.8-SNAPSHOT