MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007058
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007058
RECORD_TITLE: BENZYL FORMATE; 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$NAME: BENZYL FORMATE
CH$NAME: FORMIC ACID BENZYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O2
CH$EXACT_MASS: 136.05243
CH$SMILES: O=COCc(c1)cccc1
CH$IUPAC: InChI=1S/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
CH$LINK: CAS
104-57-4
CH$LINK: INCHIKEY
UYWQUFXKFGHYNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059298
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$SPLASH: splash10-0006-9200000000-52dbf7a517edbbca660d
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
26 1.28 13
27 4.67 47
29 17.67 177
31 2.21 22
37 1.42 14
38 4.96 50
39 19.95 200
40 1.19 12
41 2.25 23
49 1 10
50 12.46 125
51 25.74 257
52 6.82 68
53 2.6 26
61 1.61 16
62 5.06 51
63 12.68 127
64 3.83 38
65 24.65 247
66 1.3 13
74 2.52 25
75 1.67 17
76 1.63 16
77 32.62 326
78 6.5 65
79 32.28 323
80 3.59 36
89 19.74 197
90 80.41 804
91 99.99 999
92 8.07 81
105 3.61 36
107 27.58 276
108 30.77 308
109 1.97 20
136 60.54 605
137 5.36 54
//
system version 2.2.6-SNAPSHOT