MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010013
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010013
RECORD_TITLE: 5-ETHOXY-3-METHYL-1,3-PENTADIENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 5-ETHOXY-3-METHYL-1,3-PENTADIENE
CH$NAME: 2,4-PENTADIENE-3-METHYL-1-ETHOXY
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H14O
CH$EXACT_MASS: 126.10447
CH$SMILES: CCOCC=C(C)C=C
CH$IUPAC: InChI=1S/C8H14O/c1-4-8(3)6-7-9-5-2/h4,6H,1,5,7H2,2-3H3/b8-6+
CH$LINK: INCHIKEY
KNRWANBXKZWMCQ-SOFGYWHQSA-N
AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-014j-9000000000-d1002d58470720595405
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
27 8.9 89
28 1.3 13
29 3.4 34
39 0.95 10
40 2.1 21
41 13.9 139
42 3.1 31
43 1.54 15
44 1.1 11
45 54 540
46 1.1 11
50 0.11 1
51 2.6 26
53 9.6 96
54 7.8 78
55 0.91 9
56 1 10
57 1.2 12
65 3.5 35
66 0.25 3
67 99.99 999
68 5.9 59
72 1 10
77 0.3 3
79 8.3 83
80 1.9 19
81 18.4 184
82 7.27 73
83 5.5 55
//