MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007635
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007635
RECORD_TITLE: NERYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: NERYL ACETATE
CH$NAME: 3,7-DIMETHYL-2,6-OCTADIEN-1-OL 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: CAS
16409-44-2
CH$LINK: INCHIKEY
HIGQPQRQIQDZMP-FLIBITNWSA-N
CH$LINK: COMPTOX
DTXSID2047068
AC$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00ko-9500000000-cdf126f2c6e288b8761f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
41 2.3 23
43 13.59 136
67 2.08 21
68 47.15 472
69 67.63 676
70 4.38 44
71 1.1 11
79 2.38 24
80 53.95 540
81 12.85 129
82 2.08 21
83 1.37 14
84 7.64 76
85 4.11 41
86 1.4 14
92 21.58 216
93 75.42 754
94 16.47 165
95 4.25 43
96 6.27 63
97 2.33 23
98 3.7 37
101 1.23 12
107 11.56 116
108 6.33 63
109 3.86 39
111 1.89 19
121 39.46 395
122 4.27 43
123 4.33 43
126 1.12 11
127 2.74 27
135 1.01 10
136 99.99 999
137 13.86 139
138 2.63 26
139 1.48 15
140 1.95 20
154 8.27 83
196 3.84 38
197 1.07 11
//