MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009724
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009724
RECORD_TITLE: BENZOIC ACID ETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: BENZOIC ACID ETHYL ESTER
CH$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$INSTRUMENT_TYPE: EI-B
AC$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-f9719df41d062495f650
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
29 2.3 23
45 1.57 16
51 2.35 24
77 26.7 267
78 2.91 29
91 1.12 11
105 99.99 999
106 9.56 96
122 35.2 352
123 2.91 29
135 1.26 13
149 2.18 22
150 24.23 242
151 2.45 25
//