MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008864
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008864
RECORD_TITLE: BENZYL FORMATE; 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$NAME: BENZYL FORMATE
CH$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: INCHIKEY
UYWQUFXKFGHYNT-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5059298
AC$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: splash10-0006-9300000000-6a77c8d351ff84dc23ee
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
27 4.45 45
29 7.48 75
31 2.35 24
38 3.59 36
39 16.39 164
40 1.3 13
41 4.45 45
43 3.09 31
50 9.09 91
51 20.47 205
52 5.32 53
53 2.84 28
62 3.83 38
63 10.02 100
64 3.09 31
65 22.63 226
77 27.21 272
78 5.75 58
79 35.81 358
80 4.21 42
89 20.1 201
90 89.67 897
91 99.99 999
92 7.48 75
105 2.97 30
107 30.86 309
108 34.51 345
109 2.66 27
136 70.44 704
137 6.18 62
//
system version 2.2.8-SNAPSHOT