MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006490
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006490
RECORD_TITLE: ISOBUTYL 3-(2-FURYL)PROPIONATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: ISOBUTYL 3-(2-FURYL)PROPIONATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3
CH$EXACT_MASS: 196.10994
CH$SMILES: CC(C)COC(=O)CCc(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-9(2)8-14-11(12)6-5-10-4-3-7-13-10/h3-4,7,9H,5-6,8H2,1-2H3
CH$LINK: COMPTOX
DTXSID4051532
CH$LINK: INCHIKEY
SVDPTFHRRNUNRS-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:7733
AC$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: splash10-000x-9200000000-69355688cd3cbf9c4c7a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
27 14.18 142
28 2.77 28
29 15.09 151
38 1.89 19
39 16.64 166
40 2.8 28
41 28.94 289
42 2.59 26
43 6.93 69
51 2.17 22
52 1.86 19
53 12.01 120
55 3.04 30
56 1.21 12
57 30.88 309
58 1.25 13
63 1.08 11
65 6.44 64
66 4.39 44
67 5.79 58
68 2.58 26
81 99.99 999
82 6.08 61
94 41.25 413
95 12.02 120
97 17.62 176
123 18.89 189
124 1.41 14
139 9.54 95
140 31.69 317
141 2.79 28
196 14.18 142
197 1.51 15
//