MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009407
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009407
RECORD_TITLE: METHYL ACETYLSALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: METHYL ACETYLSALICYLATE
CH$NAME: METHYL 2-ACETHOXYBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O4
CH$EXACT_MASS: 194.05791
CH$SMILES: COC(=O)c(c1)c(ccc1)OC(C)=O
CH$IUPAC: InChI=1S/C10H10O4/c1-7(11)14-9-6-4-3-5-8(9)10(12)13-2/h3-6H,1-2H3
CH$LINK: INCHIKEY
ONWPLBKWMAUFGZ-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID20206724
AC$INSTRUMENT: HITACHI M-80A
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: splash10-0fkc-9700000000-9c56fa1f8fda05f01113
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
15 23.79 238
27 1.79 18
29 4.1 41
37 2.07 21
38 7.73 77
39 12.43 124
41 2.62 26
42 4.23 42
43 74.89 749
44 1.71 17
50 4.07 41
51 2.72 27
52 2.41 24
53 4.21 42
59 2.17 22
61 1.05 11
62 3.8 38
63 17.09 171
64 15.84 158
65 12.94 129
66 1.23 12
74 1.23 12
76 1.68 17
77 4.33 43
92 45.1 451
93 7.1 71
95 3.47 35
120 99.99 999
121 32.32 323
122 2.76 28
152 73.68 737
153 7.44 74
163 5.5 55
//
system version 2.2.8-SNAPSHOT