MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008697
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008697
RECORD_TITLE: GERANAL; 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$NAME: GERANAL
CH$NAME: TRANS-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-JXMROGBWSA-N
CH$LINK: COMPTOX
DTXSID20881217
AC$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-9000000000-90723459c49195367705
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
27 14.26 143
29 7.66 77
39 23.59 236
40 2.12 21
41 87.5 875
42 3.89 39
43 3.69 37
50 1.15 12
51 2.86 29
52 1.32 13
53 10.37 104
54 2.33 23
55 5.49 55
56 2.85 29
59 3.1 31
65 2.4 24
67 6.92 69
68 2.19 22
69 99.99 999
70 5.33 53
77 2.95 30
79 2.69 27
80 1.57 16
81 5.24 52
82 3.68 37
83 7.19 72
84 25.02 250
85 1.41 14
91 2.77 28
93 1.46 15
94 13.03 130
95 3.22 32
107 1.12 11
108 1.22 12
109 6.37 64
110 1.04 10
119 1.85 19
123 5.49 55
134 1.19 12
137 4.45 45
152 4.39 44
//