MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006903
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006903
RECORD_TITLE: M-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$NAME: M-METHYLBENZYL ACETATE
CH$NAME: 1-ACETOXYMETHYL-3-METHYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O2
CH$EXACT_MASS: 164.08373
CH$SMILES: CC(=O)OCc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C10H12O2/c1-8-4-3-5-10(6-8)7-12-9(2)11/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY
QPTQLFCBVFKFLY-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60169642
AC$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: splash10-0ki6-9800000000-94cc9f0400be635d6dec
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
14 2.61 26
15 9.58 96
27 7.55 76
29 2.56 26
38 2.65 27
39 20.35 204
40 1.64 16
41 4.23 42
42 3.1 31
43 75.47 755
44 2.01 20
50 5.04 50
51 12.96 130
52 4.3 43
53 4.23 42
62 2.85 29
63 9.96 100
64 3.1 31
65 18.24 182
66 1.49 15
74 1.29 13
75 1.12 11
76 1.79 18
77 36.65 367
78 30.87 309
79 18.64 186
89 5.21 52
90 2.67 27
91 28.89 289
92 2.97 30
93 23.67 237
94 1.65 17
102 2.22 22
103 24.31 243
104 33.54 335
105 65.97 660
106 5.25 53
107 36.94 369
108 2.68 27
119 5.17 52
120 1.32 13
121 7.52 75
122 99.99 999
123 7.86 79
164 33.06 331
165 3.3 33
//
system version 2.2.6-SNAPSHOT