MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007054
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007054
RECORD_TITLE: TETRAHYDROGERANYL FORMATE; 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$NAME: TETRAHYDROGERANYL FORMATE
CH$NAME: 3,7-DIMETHYLOCTYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H22O2
CH$EXACT_MASS: 186.16198
CH$SMILES: O=COCCC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C11H22O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h9-11H,4-8H2,1-3H3
CH$LINK: INCHIKEY
AGARWNGUJKCDII-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID60887278
AC$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: splash10-0abc-9000000000-161077e92ae4b9705661
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
18 2.35 24
27 25.23 252
28 5.81 58
29 29.3 293
31 27.44 274
39 19.67 197
40 4.4 44
41 80.66 807
42 23.54 235
43 90.56 906
44 3.86 39
45 3.97 40
47 1.71 17
51 1.08 11
53 7.94 79
54 6.09 61
55 99.99 999
56 79.82 798
57 55.93 559
58 2.34 23
67 6.21 62
68 6.11 61
69 61.31 613
70 88.74 887
71 29.74 297
72 1.31 13
73 2.26 23
74 1.73 17
81 4.01 40
82 4.83 48
83 28.48 285
84 21.84 218
85 5.31 53
96 6.87 69
97 19.2 192
98 3.53 35
111 9.67 97
112 12.83 128
113 1.16 12
125 3.67 37
140 2.31 23
//