MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007752
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007752
RECORD_TITLE: FURFURYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA
CH$NAME: FURFURYL HEXANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O3
CH$EXACT_MASS: 196.10994
CH$SMILES: CCCCCC(=O)OCc(c1)occ1
CH$IUPAC: InChI=1S/C11H16O3/c1-2-3-4-7-11(12)14-9-10-6-5-8-13-10/h5-6,8H,2-4,7,9H2,1H3
CH$LINK: COMPTOX
DTXSID80339603
CH$LINK: INCHIKEY
IBIDUABZZSJJNF-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:557222
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001j-9000000000-ec628d6b0b5979e213d4
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
26 1.1 11
27 2.98 30
29 4 40
41 5.02 50
42 2.13 21
43 25.72 257
44 1.05 11
45 1.05 11
51 1.04 10
52 20.01 200
53 11.87 119
55 4.02 40
56 1.04 10
57 2.03 20
59 2.03 20
60 1 10
61 1.01 10
69 6.82 68
70 4.01 40
71 11.83 118
80 17.83 178
81 99.99 999
82 21.52 215
83 1.02 10
97 7.89 79
98 40.82 408
99 17.95 180
100 1 10
101 4.83 48
115 2.21 22
167 1.02 10
196 11.24 112
197 1 10
//