MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009043
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009043
RECORD_TITLE: HEXYL 2-FUROATE; 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$NAME: HEXYL 2-FUROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3
CH$EXACT_MASS: 196.10994
CH$SMILES: CCCCCCOC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-2-3-4-5-8-14-11(12)10-7-6-9-13-10/h6-7,9H,2-5,8H2,1H3
CH$LINK: INCHIKEY
KMLFVAGUWNPADU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID70192502
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$SPLASH: splash10-03dj-9500000000-d4f648bf12a127d40665
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
27 9.93 99
29 9.02 90
37 1.16 12
38 5.24 52
39 28.46 285
41 20.19 202
42 12.55 126
43 18.73 187
53 1.91 19
54 1.37 14
55 19.81 198
56 22.9 229
57 1.99 20
66 1.3 13
67 3.63 36
68 4.35 44
69 9.37 94
83 1.78 18
84 8.84 88
95 99.99 999
96 7.27 73
97 1.17 12
112 63.97 640
113 96.6 966
114 5.93 59
196 9.98 100
197 1.21 12
//