MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005806
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005806
RECORD_TITLE: BUTYL SALICYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: BUTYL SALICYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O3
CH$EXACT_MASS: 194.09429
CH$SMILES: CCCCOC(=O)c(c1)c(O)ccc1
CH$IUPAC: InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3
CH$LINK: INCHIKEY
YFDUWSBGVPBWKF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8062153
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-3900000000-efe18a9589df0537f04f
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
29 13.86 139
39 1.2 12
41 12.72 127
55 1.08 11
56 3.74 37
57 7.22 72
65 6.28 63
91 1.02 10
92 24.35 244
93 5.73 57
120 99.99 999
121 35.56 356
122 2.15 22
138 34.06 341
139 3.64 36
194 20.36 204
195 2.18 22
//