MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000068
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000068
RECORD_TITLE: ETHYL SALICYLATE; 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$NAME: ETHYL SALICYLATE
CH$NAME: ETHYL ORTHO HYDROXY BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O3
CH$EXACT_MASS: 166.06299
CH$SMILES: CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C9H10O3/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6,10H,2H2,1H3
CH$LINK: INCHIKEY
GYCKQBWUSACYIF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021958
AC$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: splash10-00di-5900000000-f5eb6e8bd07e0d734060
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
27 2.89 29
29 2.82 28
38 1.44 14
39 10.61 106
53 2.38 24
63 5.78 58
64 8.01 80
65 12.56 126
92 44.26 443
93 9.96 100
120 99.99 999
121 27.94 279
122 1.88 19
138 2.09 21
166 25.99 260
167 2.53 25
//