MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001209
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001209
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4l-7900000000-952d038ccd29fcd2a3f2
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
18 1 10
28 1 10
43 85 850
44 0.2 2
45 1 10
71 3 30
75 4 40
76 0.1 1
91 15 150
92 4 40
104 4 40
105 99.99 999
106 39 390
107 2 20
//
system version 2.2.8-SNAPSHOT