MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007631
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007631
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$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-015c-9100000000-ca053ebb57ae261fdf07
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
41 22.4 224
42 1 10
43 7.5 75
55 0.36 4
56 4.5 45
57 1.7 17
58 1.2 12
59 3.07 31
67 7.9 79
68 5.1 51
69 99.99 999
70 1.24 12
71 3.9 39
72 2.3 23
79 4.8 48
80 1.07 11
81 18.7 187
82 20.5 205
83 10.8 108
84 5.34 53
85 3.3 33
91 2.1 21
92 3.8 38
93 0.5 5
94 56.7 567
95 19.1 191
96 8.3 83
97 0.6 6
107 1 10
108 2.9 29
109 14.2 142
110 0.32 3
119 3.7 37
123 10.3 103
124 1.6 16
134 0.37 4
137 9.6 96
152 15.7 157
153 1.2 12
//
system version 2.2.6-SNAPSHOT