MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007163
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007163
RECORD_TITLE: GERANYL ACETATE; 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$NAME: GERANYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H20O2
CH$EXACT_MASS: 196.14633
CH$SMILES: CC(C)=CCCC(C)=CCOC(C)=O
CH$IUPAC: InChI=1S/C12H20O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,8H,5,7,9H2,1-4H3/b11-8+
CH$LINK: INCHIKEY
HIGQPQRQIQDZMP-DHZHZOJOSA-N
CH$LINK: COMPTOX
DTXSID0020654
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$SPLASH: splash10-014l-9100000000-4f64489866a4bb04a91b
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
15 1.43 14
27 5.56 56
29 4.08 41
39 9.08 91
40 2.26 23
41 49.79 498
42 2.47 25
43 53.98 540
44 1.41 14
51 1.16 12
53 8.68 87
54 1.07 11
55 3.64 36
65 1.79 18
67 12.25 123
68 38.44 384
69 99.99 999
70 5.65 57
77 2.12 21
79 2.97 30
80 10.96 110
81 5.36 54
84 2.33 23
85 6.25 63
86 1.15 12
91 2.06 21
92 5.07 51
93 20.67 207
94 4.44 44
95 1.59 16
107 4.33 43
108 1.14 11
121 12.81 128
122 1.27 13
123 1.88 19
127 1.53 15
136 15.76 158
137 2.22 22
154 1.34 13
//