MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001208
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001208
RECORD_TITLE: PHENETHYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA
CH$NAME: PHENETHYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6D
AC$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$SPLASH: splash10-0a4l-9700000000-7f41ba98b537cb7cccbb
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 3 30
17 3.5 35
18 19.5 195
27 0.1 1
28 9 90
37 1 10
38 3 30
41 0.05 1
42 0.5 5
43 60 600
44 1 10
50 0.1 1
51 4 40
52 1 10
62 1 10
63 0.15 2
64 1 10
65 6 60
66 1 10
71 0.1 1
73 1 10
75 4 40
76 4 40
77 0.2 2
89 1 10
91 18.5 185
92 2.5 25
93 0.1 1
103 4.5 45
105 99.99 999
106 12.5 125
//
system version 2.2.8-SNAPSHOT