MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006568
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006568
RECORD_TITLE: FURFURYL ALCOHOL; 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$NAME: FURFURYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C5H6O2
CH$EXACT_MASS: 98.03678
CH$SMILES: OCc(c1)occ1
CH$IUPAC: InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
CH$LINK: INCHIKEY
XPFVYQJUAUNWIW-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID2025347
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$SPLASH: splash10-0005-9000000000-988efdbadbf9a5d447f9
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
14 2.1 21
15 3.13 31
25 1.42 14
26 9.2 92
27 26.45 265
29 36.22 362
30 2.59 26
31 18.24 182
36 1.43 14
37 12.85 129
38 22.95 230
39 70.35 704
40 8.35 84
41 76.23 762
42 56.72 567
43 11.7 117
44 9.29 93
49 3.61 36
50 15.29 153
51 20.51 205
52 15.15 152
53 49.73 497
54 3.13 31
55 13.78 138
56 1.23 12
66 1.53 15
67 1.56 16
68 3.57 36
69 33.62 336
70 35.06 351
71 2.3 23
79 1.28 13
80 1.03 10
81 58.82 588
82 2.62 26
95 5.75 58
96 1.14 11
97 50.32 503
98 99.99 999
99 5.35 54
//