MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007158
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007158
RECORD_TITLE: MYRTENYL 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$NAME: MYRTENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18O2
CH$EXACT_MASS: 194.13068
CH$SMILES: CC(=O)OCC(=C2)C(C1)C(C)(C)C(C2)1
CH$IUPAC: InChI=1S/C12H18O2/c1-8(13)14-7-9-4-5-10-6-11(9)12(10,2)3/h4,10-11H,5-7H2,1-3H3/t10-,11-/m0/s1
CH$LINK: INCHIKEY
BKATZVAUANSCKN-QWRGUYRKSA-N
AC$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: splash10-0006-9300000000-10d5cf3a113fc8112ea8
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
15 1.91 19
27 5.3 53
29 3.52 35
39 9.09 91
40 1.15 12
41 15.58 156
42 1.32 13
43 54.24 542
44 1.14 11
51 2.29 23
52 1.43 14
53 6.16 62
55 4.99 50
65 4.79 48
66 1.33 13
67 4.5 45
68 1.53 15
69 2.74 27
77 10.23 102
78 6.35 64
79 14.28 143
80 1.85 19
81 2.33 23
85 1.12 11
91 99.99 999
92 34.91 349
93 13.59 136
95 1.2 12
96 1.13 11
103 1.64 16
105 9.12 91
106 4.78 48
107 2.22 22
108 15.96 160
109 2.32 23
117 2.11 21
119 38.48 385
120 4.02 40
121 1.85 19
134 16.84 168
135 2.18 22
152 3.56 36
//