MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002533
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002533
RECORD_TITLE: PHENETHYL 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$NAME: PHENETHYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0udl-9700000000-b8614ae98ed2ee102473
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
15 3.69 37
27 1.94 19
28 2.9 29
39 4.69 47
41 1.24 12
43 71.07 711
44 1.68 17
50 1.66 17
51 5.11 51
52 1.44 14
63 2.3 23
65 6.57 66
73 1.14 11
77 5.01 50
78 4.35 44
79 2.02 20
89 1.2 12
91 17.04 170
92 3.39 34
103 4.61 46
104 99.99 999
105 11.87 119
//
system version 2.2.8-SNAPSHOT