MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008042
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008042
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$NAME: NERYL ACETATE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014l-9100000000-867992beb9e7c804a69d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
41 24.46 245
42 1.15 12
43 24.89 249
45 1.44 14
53 1.73 17
55 2.01 20
57 1.01 10
60 1.44 14
67 7.48 75
68 49.06 491
69 99.99 999
70 5.76 58
71 1.44 14
77 1.58 16
79 4.03 40
80 22.45 225
81 8.78 88
82 1.73 17
83 1.15 12
84 6.04 60
85 4.6 46
86 1.15 12
91 2.01 20
92 10.07 101
93 48.92 489
94 7.77 78
95 3.31 33
97 1.44 14
105 1.73 17
107 5.76 58
108 2.01 20
109 1.15 12
111 1.01 10
121 18.27 183
122 2.01 20
123 2.88 29
127 1.44 14
136 23.16 232
137 3.74 37
138 1.15 12
154 2.73 27
//