MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009098
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009098
RECORD_TITLE: FURFURYL FORMATE; 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$NAME: FURFURYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H6O3
CH$EXACT_MASS: 126.03169
CH$SMILES: O=COCc(c1)occ1
CH$IUPAC: InChI=1S/C6H6O3/c7-5-8-4-6-2-1-3-9-6/h1-3,5H,4H2
CH$LINK: INCHIKEY
FPRQARNPKWVCNI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID30878890
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$SPLASH: splash10-0fai-9100000000-1d01d927f539431cd6e1
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
26 2.94 29
27 16.14 161
29 16.92 169
31 3.72 37
37 3.14 31
38 5.99 60
39 16.36 164
40 1.22 12
41 8.24 82
42 4.51 45
43 1.52 15
50 6.93 69
51 11.26 113
52 26.68 267
53 42.19 422
54 2.01 20
55 1.33 13
69 3.67 37
70 3.13 31
80 25.31 253
81 99.99 999
82 5.58 56
95 3.44 34
97 3.52 35
98 7.11 71
126 49.04 490
127 3.16 32
//