MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006377
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006377
RECORD_TITLE: PHENYLETHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PHENYLETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-9(11)12-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
CH$LINK: INCHIKEY
MDHYEMXUFSJLGV-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7044506
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$SPLASH: splash10-0f6x-9600000000-aeee3186e3cf069e2ea0
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 4.24 42
27 2.03 20
39 6.51 65
41 1.26 13
42 1.18 12
43 81.56 816
44 1.54 15
50 2.01 20
51 6.46 65
52 1.54 15
63 3.38 34
65 9.61 96
77 6.75 68
78 6.35 64
79 2.58 26
89 1.81 18
91 20.17 202
92 3.81 38
103 6.44 64
104 99.99 999
105 11.8 118
//