MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006414
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006414
RECORD_TITLE: FURFURYL BUTYRATE; 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$NAME: FURFURYL BUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H12O3
CH$EXACT_MASS: 168.07864
CH$SMILES: CCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C9H12O3/c1-2-4-9(10)12-7-8-5-3-6-11-8/h3,5-6H,2,4,7H2,1H3
CH$LINK: INCHIKEY
IXISGRHWGVGCAK-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60211357
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$SPLASH: splash10-001i-9000000000-e758b6f3ce7b2e04e1b4
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
15 1.12 11
26 2.01 20
27 23.02 230
28 2.48 25
29 4.48 45
38 2.08 21
39 12.27 123
40 1.21 12
41 12.18 122
42 4.84 48
43 24.76 248
50 2.08 21
51 5.25 53
52 19.81 198
53 21.14 211
55 1.31 13
69 1.59 16
70 1.51 15
71 13.65 137
80 11.02 110
81 99.99 999
82 5.25 53
95 1.77 18
97 4.7 47
98 25.31 253
99 1.26 13
168 12.5 125
169 1 10
//