MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008984
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008984
RECORD_TITLE: ETHYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: ETHYL SALICYLATE
CH$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$LINK: CAS
118-61-6
CH$LINK: INCHIKEY
GYCKQBWUSACYIF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021958
AC$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: splash10-00di-6900000000-8e32263351a87a3cac48
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
37 1.07 11
38 2.66 27
39 17.73 177
50 1.43 14
51 1 10
53 3.58 36
62 2.11 21
63 9.84 98
64 10.14 101
65 17.4 174
66 1.64 16
81 2.04 20
92 42.83 428
93 8.89 89
120 99.99 999
121 28.19 282
122 2.24 22
138 1.05 11
166 31.11 311
167 2.62 26
//