MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008990
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008990
RECORD_TITLE: ISOPENTYL 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$NAME: ISOPENTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O3
CH$EXACT_MASS: 208.10994
CH$SMILES: CC(C)CCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C12H16O3/c1-9(2)7-8-15-12(14)10-5-3-4-6-11(10)13/h3-6,9,13H,7-8H2,1-2H3
CH$LINK: CAS
87-20-7
CH$LINK: INCHIKEY
PMGCQNGBLMMXEW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID9041655
AC$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-9700000000-e62a29f19910b38602dc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
27 8.63 86
29 5.31 53
38 1.57 16
39 17.1 171
41 15.91 159
42 4.3 43
43 43.4 434
53 3.62 36
55 14.34 143
63 5.38 54
64 5.93 59
65 18.84 188
66 1.36 14
69 1.72 17
70 21.13 211
71 11.21 112
81 1.37 14
92 18.89 189
93 8.22 82
120 99.99 999
121 37.39 374
122 2.49 25
138 36.47 365
139 7.62 76
208 19.14 191
209 2.11 21
//