MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008402
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008402
RECORD_TITLE: GERANYL ACETONE; 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$NAME: GERANYL ACETONE
CH$NAME: 6,10-DIMETHYL-5,9-UNDECADIEN-2-ONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H22O
CH$EXACT_MASS: 194.16707
CH$SMILES: CC(C)=CCCC(C)=CCCC(C)=O
CH$IUPAC: InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+
CH$LINK: INCHIKEY
HNZUNIKWNYHEJJ-FMIVXFBMSA-N
CH$LINK: COMPTOX
DTXSID4052053
AC$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: splash10-0006-9100000000-c42572db1c258766d25e
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
14 1.08 11
15 1.85 19
27 5.68 57
28 1.84 18
29 3.02 30
32 1.88 19
39 7.44 74
41 42.66 427
42 2.36 24
43 99.99 999
44 2.01 20
51 1.33 13
53 6.18 62
54 1.08 11
55 4.18 42
58 2.65 27
65 1.52 15
67 7.17 72
68 4.62 46
69 55.26 553
70 3.01 30
71 2.34 23
77 2.33 23
79 2.43 24
80 1.22 12
81 4.07 41
82 2.47 25
83 3.32 33
91 2.08 21
93 6.59 66
94 1.06 11
95 2.3 23
107 5.58 56
108 2.61 26
109 5.83 58
111 1.53 15
121 2.86 29
125 5.19 52
136 7.05 71
137 1.11 11
151 7.49 75
194 1.59 16
//