MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001315
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001315
RECORD_TITLE: ACETIC ACID BENZYL ESTER; 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$NAME: ACETIC ACID BENZYL ESTER
CH$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 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: splash10-052f-9500000000-87826789a793b8c5d4fd
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
15 4.51 45
27 2.08 21
28 1.71 17
29 1 10
38 1.81 18
39 9.12 91
41 2.08 21
43 50.18 502
44 1.81 18
45.5 2.08 21
50 4.51 45
51 11.82 118
52 3.07 31
62 1.81 18
63 5.6 56
64 1.81 18
65 14.44 144
77 14.8 148
78 4.15 42
79 28.25 283
80 2.71 27
89 13.36 134
90 42.33 423
91 55.32 553
92 4.33 43
105 3.25 33
107 17.42 174
108 99.99 999
109 7.85 79
150 28.25 283
151 2.71 27
//