MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000036
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000036
RECORD_TITLE: METHYL 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$NAME: METHYL BENZOATE
CH$NAME: BENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: COC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
CH$LINK: INCHIKEY
QPJVMBTYPHYUOC-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025572
AC$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-3900000000-c8e85f0df98caa46623c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
50 2.36 24
51 7.09 71
76 1.7 17
77 48.18 482
78 3.16 32
105 99.99 999
106 8.03 80
135 1.94 19
136 31.22 312
137 2.69 27
//
system version 2.2.8-SNAPSHOT