MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008481
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008481
RECORD_TITLE: METHYL 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$NAME: METHYL BENZOATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0a6r-9800000000-898ce08cbfefd77e3d38
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
15 3.93 39
27 1.89 19
29 3.51 35
30 1.02 10
38 1.74 17
39 2.47 25
50 14.24 142
51 31.45 315
52 1.53 15
74 4.79 48
75 2.64 26
76 4.71 47
77 67.16 672
78 5.06 51
91 1.68 17
92 1.77 18
105 99.99 999
106 7.84 78
135 1.43 14
136 34.32 343
137 2.69 27
//
system version 2.2.8-SNAPSHOT