MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008986
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008986
RECORD_TITLE: ISOPROPYL 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$NAME: ISOPROPYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H12O3
CH$EXACT_MASS: 180.07864
CH$SMILES: CC(C)OC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C10H12O3/c1-7(2)13-10(12)8-5-3-4-6-9(8)11/h3-7,11H,1-2H3
CH$LINK: CAS
607-85-2
CH$LINK: INCHIKEY
YEULQIJMIOWCHB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID1060556
AC$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-5900000000-a9be86146f9d22494aae
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
27 6.4 64
29 1.37 14
38 2.18 22
39 16.17 162
41 7.97 80
43 8.25 83
53 2.37 24
62 1.06 11
63 5.78 58
64 7.05 71
65 14.03 140
66 1.15 12
81 1.26 13
92 28.11 281
93 6.64 66
120 99.99 999
121 28.27 283
122 2.08 21
138 28.42 284
139 1.64 16
180 14.1 141
181 1.25 13
//