MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004944
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004944
RECORD_TITLE: PHENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS
122-79-2
CH$LINK: INCHIKEY
IPBVNPXQWQGGJP-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3051626
AC$INSTRUMENT: JEOL JMS-D-3000
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-aa83092457f08d648525
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
42 2.03 20
43 26.01 260
44 1.7 17
50 1.75 18
51 2.37 24
55 1.44 14
63 2.27 23
65 6.07 61
66 7.84 78
77 2.1 21
93 1.34 13
94 99.99 999
95 6.67 67
136 10.87 109
//