MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008482
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008482
RECORD_TITLE: ETHYL BENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0pdi-7900000000-da9006b983d81f077196
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
26 1.67 17
27 8.93 89
29 6.55 66
39 2.02 20
45 1.58 16
50 10.6 106
51 27.68 277
52 1.65 17
74 2.51 25
75 1.79 18
76 3.1 31
77 53.01 530
78 4.84 48
105 99.99 999
106 8.62 86
122 25.39 254
123 1.76 18
149 1.06 11
150 15.72 157
151 1.4 14
//