MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008696
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008696
RECORD_TITLE: NERAL; 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$NAME: NERAL
CH$NAME: CIS-3,7-DIMETHYL-2,6-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC=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: INCHIKEY
WTEVQBCEXWBHNA-YFHOEESVSA-N
CH$LINK: COMPTOX
DTXSID60881216
AC$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: splash10-00kf-9000000000-e44752a8e465ab2ae91d
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
27 17.49 175
29 9.44 94
32 1.01 10
38 1.11 11
39 31.93 319
40 3.27 33
41 99.99 999
42 4.13 41
43 7.28 73
50 1.29 13
51 3.73 37
52 1.86 19
53 12.9 129
54 4.38 44
55 9.29 93
56 4.01 40
57 1.25 13
59 11.88 119
63 1.14 11
65 3.35 34
66 1.41 14
67 13.94 139
68 3.14 31
69 80.5 805
70 5.95 60
71 1.11 11
77 4.63 46
78 1.28 13
79 5.73 57
80 4.22 42
81 11 110
82 11.43 114
83 10.23 102
84 15.32 153
85 1.14 11
91 5.29 53
92 1.73 17
93 2.72 27
94 16.36 164
95 11.48 115
96 3.85 39
97 1.73 17
105 1.77 18
107 2.65 27
108 1.6 16
109 14.14 141
110 2.64 26
119 5.32 53
121 1.5 15
123 2.15 22
134 2.83 28
137 3.23 32
152 1.14 11
//