MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006904
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006904
RECORD_TITLE: O-METHYLBENZYL 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$NAME: O-METHYLBENZYL ACETATE
CH$NAME: 1-ACETOXYMETHYL-2-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8-5-3-4-6-10(8)7-12-9(2)11/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
BKKDUUVBVHYZFA-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID90169650
AC$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: splash10-0udi-5900000000-78ff90a7a4c5e2dccf1e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
15 2.95 30
27 2.01 20
39 5.71 57
41 1.13 11
43 20.57 206
50 1.5 15
51 4.77 48
52 1.35 14
53 1.3 13
63 3.12 31
65 5.95 60
77 12.11 121
78 11.37 114
79 6.52 65
89 1.78 18
91 8.6 86
93 3.79 38
102 1.1 11
103 11.23 112
104 99.99 999
105 28.87 289
106 2.48 25
107 7.11 71
119 1.54 15
121 1.11 11
122 4.06 41
//
system version 2.2.6-SNAPSHOT