MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009047
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009047
RECORD_TITLE: ALLYL 2-FUROATE; 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$NAME: ALLYL 2-FUROATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H8O3
CH$EXACT_MASS: 152.04734
CH$SMILES: C=CCOC(=O)c(c1)occ1
CH$IUPAC: InChI=1S/C8H8O3/c1-2-5-11-8(9)7-4-3-6-10-7/h2-4,6H,1,5H2
CH$LINK: CAS
4208-49-5
CH$LINK: COMPTOX
DTXSID6063353
CH$LINK: INCHIKEY
SJRQTHAMRUOPBJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:61337
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$SPLASH: splash10-0002-9000000000-1ca056e42ef08abc1140
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
26 1.24 12
27 3.26 33
29 2.54 25
37 2.23 22
38 6.06 61
39 26.3 263
41 12.8 128
53 1.02 10
57 2.33 23
66 1.12 11
67 1.65 17
68 4.97 50
77 1.07 11
79 3.84 38
80 1.11 11
81 1.08 11
95 99.99 999
96 7.66 77
107 1.09 11
108 3.41 34
112 1.2 12
123 1.89 19
152 8.38 84
//