MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006440
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006440
RECORD_TITLE: DIFURFURYL ETHER; 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$NAME: DIFURFURYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H10O3
CH$EXACT_MASS: 178.06299
CH$SMILES: c(c2)cc(o2)COCc(c1)occ1
CH$IUPAC: InChI=1S/C10H10O3/c1-3-9(12-5-1)7-11-8-10-4-2-6-13-10/h1-6H,7-8H2
CH$LINK: INCHIKEY
YEQMNLGBLPBBNI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8063464
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$SPLASH: splash10-001i-9000000000-7e0d0692ac5cc6a680ea
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
27 9.68 97
29 2.88 29
38 2.2 22
39 11.43 114
41 6.49 65
42 1.07 11
50 1.84 18
51 3.67 37
52 3.12 31
53 23.66 237
54 6.02 60
69 5.64 56
80 1.56 16
81 99.99 999
82 46.83 468
83 2.72 27
95 5.02 50
96 1.5 15
97 9.21 92
110 3.48 35
178 7.54 75
//