MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008916
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008916
RECORD_TITLE: ETHYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
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$LINK: INCHIKEY
GYCKQBWUSACYIF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1021958
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-00xu-8900000000-86cbf27957a874eacf48
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
15 1.4 14
26 1.7 17
27 9 90
28 0.11 1
29 7.6 76
37 1.7 17
38 5.6 56
39 2.24 22
40 1.2 12
43 1.1 11
50 2.2 22
51 0.16 2
53 5.1 51
61 1.6 16
62 3 30
63 1.09 11
64 12.8 128
65 22.1 221
66 1.6 16
73 0.11 1
76 1.2 12
81 2.5 25
92 52.3 523
93 1.09 11
94 1.2 12
101 1.2 12
118 1.6 16
120 99.99 999
121 2.97 30
123 2.5 25
166 31.9 319
167 3.3 33
//