MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001532
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001532
RECORD_TITLE: PHENYL ACETATE; 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$NAME: PHENYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9000000000-46bc16d1beb8d7789c2e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
14 1.16 12
15 5.97 60
27 1.2 12
37 1.07 11
38 3.32 33
39 13.69 137
40 2.51 25
42 1.34 13
43 30.35 304
50 2.27 23
51 3.65 37
55 1.86 19
62 1.29 13
63 3.32 33
64 1.32 13
65 9.44 94
66 11.94 119
77 2.75 28
93 1.44 14
94 99.99 999
95 7.26 73
136 14.57 146
137 1.44 14
//