MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006516
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006516
RECORD_TITLE: FURFURYL PENTANOATE; 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$NAME: FURFURYL PENTANOATE
CH$NAME: FURFURYL VALERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O3
CH$EXACT_MASS: 182.09429
CH$SMILES: CCCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C10H14O3/c1-2-3-6-10(11)13-8-9-5-4-7-12-9/h4-5,7H,2-3,6,8H2,1H3
CH$LINK: INCHIKEY
HRYAVTBTUKVHBU-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8067993
AC$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-9000000000-365968241922b1cc5499
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
26 1.68 17
27 17.7 177
29 12.55 126
38 1.52 15
39 9.96 100
41 11.76 118
42 2.58 26
43 1.39 14
50 1.72 17
51 3.29 33
52 16.46 165
53 18.94 189
55 2.58 26
57 14.22 142
69 1.08 11
80 10.49 105
81 99.99 999
82 7.07 71
85 9.18 92
95 1.58 16
97 3.04 30
98 23.26 233
99 1.04 10
182 9.42 94
//