MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006893
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006893
RECORD_TITLE: FURFURYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: FURFURYL ACETATE
CH$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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0f8c-9000000000-8acbf2c440658554923f
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
14 2.36 24
15 11.72 117
26 3.14 31
27 21.01 210
28 1.55 16
29 9.67 97
37 2.52 25
38 6.29 63
39 19.08 191
40 1.47 15
41 11.15 112
42 11.26 113
43 63.41 634
44 1.94 19
50 7.58 76
51 12.6 126
52 49.74 497
53 41.82 418
54 1.87 19
55 1.51 15
61 1.62 16
68 1.13 11
69 5.74 57
70 2.95 30
79 1.15 12
80 16.61 166
81 99.99 999
82 5.44 54
95 5.02 50
97 10.08 101
98 51.74 517
99 2.63 26
140 31.03 310
141 2.25 23
//