MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005907
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005907
RECORD_TITLE: ETHYL BENZOATE; 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$NAME: ETHYL BENZOATE
CH$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$LINK: COMPTOX
DTXSID3038696
CH$LINK: INCHIKEY
MTZQAGJQAFMTAQ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7165
AC$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 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0a4i-1900000000-4dfdb3091a0b0e276d97
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
29 1.91 19
45 2.02 20
51 1.24 12
77 23.32 233
78 2.59 26
91 1.35 14
105 99.99 999
106 10.02 100
107 1.01 10
122 39.3 393
123 3.49 35
135 1.35 14
149 1.8 18
150 32.65 327
151 3.26 33
//