MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005517
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005517
RECORD_TITLE: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$NAME: NERAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
CH$LINK: CAS
106-26-3
CH$LINK: INCHIKEY
WTEVQBCEXWBHNA-YFHOEESVSA-N
CH$LINK: COMPTOX
DTXSID60881216
AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-014l-9000000000-5bf1234b31722ed31aec
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
29 1.7 17
39 1.1 11
41 52.2 522
42 0.24 2
43 8.3 83
44 2.6 26
53 3.1 31
54 0.19 2
55 6.9 69
56 5.2 52
57 1.5 15
58 0.11 1
59 20.1 201
67 10.4 104
68 5.1 51
69 99.99 999
70 9.1 91
71 3.3 33
72 1.9 19
77 0.11 1
79 4.7 47
80 7.1 71
81 1.5 15
82 1.84 18
92 2.6 26
93 4.2 42
94 34.2 342
95 1.67 17
96 7.4 74
97 5.1 51
108 1.1 11
109 0.84 8
110 1.5 15
119 2 20
123 5.5 55
134 0.13 1
137 5 50
152 7.9 79
//
system version 2.2.6-SNAPSHOT