MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006476
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006476
RECORD_TITLE: NERYL FORMATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HISAHIRO HAGIWARA, CHEMICAL RESEARCH INSTITUTE OF NON-AQUEOUSSOLUTIONS TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: NERYL FORMATE
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENYL FORMATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H18O2
CH$EXACT_MASS: 182.13068
CH$SMILES: O=COCC([H])=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C11H18O2/c1-10(2)5-4-6-11(3)7-8-13-9-12/h5,7,9H,4,6,8H2,1-3H3/b11-7-
CH$LINK: INCHIKEY
FQMZVFJYMPNUCT-XFFZJAGNSA-N
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$SPLASH: splash10-014l-9000000000-279f1c08bc764167c2f4
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
27 8.53 85
29 7.97 80
31 1.46 15
39 13.32 133
40 2.55 26
41 59.89 599
42 3.14 31
43 3.83 38
51 1.73 17
52 1.18 12
53 10.42 104
54 1.08 11
55 4.65 47
57 1.53 15
65 1.8 18
66 1.07 11
67 10.16 102
68 21.34 213
69 99.99 999
70 6.37 64
77 2.74 27
79 3.26 33
80 6.94 69
81 5.13 51
83 1.15 12
84 1.56 16
91 2.13 21
92 3.41 34
93 15.38 154
94 2.27 23
95 1.11 11
107 1.61 16
121 5.22 52
136 9.65 97
137 1.43 14
//