MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002529
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002529
RECORD_TITLE: FURFURYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: FURFURYL ACETATE
CH$NAME: 2-FURYLMETHYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H8O3
CH$EXACT_MASS: 140.04734
CH$SMILES: CC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C7H8O3/c1-6(8)10-5-7-3-2-4-9-7/h2-4H,5H2,1H3
CH$LINK: INCHIKEY
CKOYRRWBOKMNRG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID7025346
AC$INSTRUMENT: HITACHI RMU-6M
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: splash10-0f8d-9000000000-c56641f4bee3a25718dd
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
14 2.75 28
15 12.14 121
26 3.68 37
27 22.22 222
28 4.1 41
29 8.1 81
37 2.31 23
38 5.55 56
39 17.55 176
40 1.51 15
41 9.82 98
42 6.34 63
43 66.78 668
44 1.99 20
50 5.6 56
51 10.64 106
52 47.48 475
53 38.79 388
54 1.76 18
55 1.79 18
61 1.99 20
68 1.03 10
69 5.32 53
70 3.72 37
79 1.37 14
80 19.61 196
81 99.99 999
82 6.02 60
95 3.97 40
97 13.08 131
98 69.39 694
99 3.99 40
140 39 390
141 3.24 32
//