MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006896
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006896
RECORD_TITLE: PHENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PHENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: CC(=O)Oc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
CH$LINK: INCHIKEY
IPBVNPXQWQGGJP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3051626
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$SPLASH: splash10-0006-9000000000-c511fa85854cadfd24e7
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
15 3.31 33
38 3.21 32
39 14.81 148
40 1.94 19
42 1.65 17
43 28.57 286
50 2.17 22
51 4.15 42
55 1.44 14
62 1.34 13
63 3.28 33
64 1.45 15
65 11.19 112
66 12.08 121
77 2.28 23
93 1.41 14
94 99.99 999
95 7.31 73
136 13.82 138
137 1.1 11
//