MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008359
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008359
RECORD_TITLE: FURFURYL HEXANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: INCHIKEY
IBIDUABZZSJJNF-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID80339603
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$SPLASH: splash10-001i-9000000000-21a62d33c27139aa3108
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
26 1.07 11
27 11.56 116
29 6.22 62
38 1.37 14
39 8.11 81
41 8.78 88
42 3.08 31
43 14.4 144
50 1.3 13
51 2.62 26
52 12 120
53 15.18 152
54 1.04 10
55 2.94 29
69 2.72 27
70 1.15 12
71 6.16 62
80 8.77 88
81 99.99 999
82 11.1 111
95 2.25 23
96 1.31 13
97 4.2 42
98 23.48 235
99 8.15 82
196 9.5 95
//