MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008992
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008992
RECORD_TITLE: HEXYL 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$NAME: HEXYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H18O3
CH$EXACT_MASS: 222.12559
CH$SMILES: CCCCCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C13H18O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h5-6,8-9,14H,2-4,7,10H2,1H3
CH$LINK: INCHIKEY
DUKPKQFHJQGTGU-UHFFFAOYSA-N
AC$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-f18343c179237dba8858
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
27 7.84 78
29 5.12 51
39 10.77 108
41 14.09 141
42 2.82 28
43 23.71 237
53 2.13 21
55 7.23 72
56 2.74 27
57 1.71 17
63 2.56 26
64 3.03 30
65 12.5 125
69 2.35 24
84 1.31 13
92 14.1 141
93 6.46 65
120 99.99 999
121 28.2 282
122 1.94 19
138 42.02 420
139 5.79 58
222 13 130
223 1.54 15
//