MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005970
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005970
RECORD_TITLE: ETHYL BENZOATE; CI-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$NAME: ETHYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
CH$LINK: INCHIKEY
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID3038696
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE
PK$SPLASH: splash10-0ab9-2900000000-642cce491cf1fc2d7784
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
76 2.18 22
77 47.11 471
78 3.64 36
79 5.05 51
91 2.98 30
103 1.03 10
104 3.3 33
105 99.99 999
106 11.15 112
115 1.25 13
122 55.35 554
123 15.44 154
124 1.08 11
132 2.02 20
135 1.98 20
149 20.99 210
150 36.27 363
151 9.86 99
//