MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008403
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008403
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-c8281af055528616da7a
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
15 1.62 16
27 5.1 51
29 2.83 28
39 6.93 69
41 35.27 353
42 2.01 20
43 99.99 999
44 2.1 21
51 1.15 12
53 5.46 55
55 3.6 36
58 1.86 19
65 1.38 14
67 5.98 60
68 3.8 38
69 39.47 395
70 2.05 21
71 1.54 15
77 1.71 17
79 1.99 20
81 3.03 30
82 1.5 15
83 3.02 30
91 1.69 17
93 4.07 41
95 1.51 15
107 5.53 55
108 1.71 17
109 3.06 31
111 1.19 12
121 2.17 22
123 1.09 11
125 5.59 56
136 5.99 60
151 6.49 65
194 1.05 11
//
system version 2.2.6-SNAPSHOT