MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007166
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007166
RECORD_TITLE: NERYL 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$NAME: NERYL ACETATE
CH$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$LINK: INCHIKEY
HIGQPQRQIQDZMP-FLIBITNWSA-N
CH$LINK: COMPTOX
DTXSID2047068
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$SPLASH: splash10-014l-9100000000-93c6abc7985ec7f0a488
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
18 1.13 11
27 5.34 53
28 1.24 12
29 4.04 40
39 9.03 90
40 2.39 24
41 48.66 487
42 3.35 34
43 45.97 460
44 1.15 12
51 1.58 16
52 1.14 11
53 10.58 106
54 1.15 12
55 4.75 48
65 2.12 21
66 1.42 14
67 12.89 129
68 41.76 418
69 99.99 999
70 6.09 61
71 1.23 12
77 3.08 31
79 5.16 52
80 16.9 169
81 8.89 89
82 1.18 12
83 1.82 18
84 6.25 63
85 4.34 43
91 3.46 35
92 6.72 67
93 35.69 357
94 5.6 56
95 2.46 25
97 1.41 14
105 1.46 15
107 5.08 51
108 1.25 13
121 15.03 150
122 1.44 14
123 1.59 16
127 1.01 10
136 14.9 149
137 2.5 25
154 2.22 22
//