MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006899
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006899
RECORD_TITLE: BENZYL ACETATE; 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$NAME: BENZYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O2
CH$EXACT_MASS: 150.06808
CH$SMILES: CC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
CH$LINK: INCHIKEY
QUKGYYKBILRGFE-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID0020151
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$SPLASH: splash10-052f-9400000000-623c61f61fdb6da2b8d5
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
14 1.01 10
15 6.75 68
27 2.17 22
29 1.93 19
38 2.15 22
39 12.48 125
41 2.42 24
42 1.91 19
43 56.38 564
44 1.39 14
45 1.07 11
50 7.2 72
51 18.17 182
52 3.67 37
53 1.48 15
62 2.28 23
63 7.68 77
64 1.98 20
65 17.12 171
74 1.33 13
75 1.05 11
76 1.27 13
77 22.42 224
78 5.72 57
79 25.08 251
80 1.97 20
89 12.87 129
90 42.15 422
91 71.02 710
92 5.26 53
105 4.5 45
107 17.88 179
108 99.99 999
109 7.58 76
150 32.69 327
151 2.59 26
//