MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000037
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000037
RECORD_TITLE: ETHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL BENZOATE
CH$NAME: BENZOIC ACID ETHYL ESTER
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 RMU-7M
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: splash10-0a4i-2900000000-37faa5967536e1c37df1
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
51 3.59 36
76 1.05 11
77 31.97 320
78 2.54 25
105 99.99 999
106 9.01 90
122 33.62 336
123 2.59 26
135 0.9 9
149 2.24 22
150 16.38 164
151 1.54 15
//