MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005897
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005897
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0006-9100000000-3a877697eccd11d30a32
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
43 13.97 140
65 3.33 33
66 5.1 51
77 1 10
94 99.99 999
95 6.65 67
136 18.29 183
137 1.77 18
//
system version 2.2.8-SNAPSHOT