MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010110
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010110
RECORD_TITLE: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 6-CHLORO-3,7-DIMETHYL-2,7-OCTADIENYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H19ClO2
CH$EXACT_MASS: 230.10736
CH$SMILES: CC(=O)OCC=C(C)CCC(Cl)C(C)=C
CH$IUPAC: InChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7+
CH$LINK: INCHIKEY
WPMFOBQJRQAIKY-JXMROGBWSA-N
AC$INSTRUMENT: JEOL JMS-D-300
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: splash10-00kf-9200000000-7edb017d2ca3db2c1915
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
41 26.5 265
43 99.99 999
53 13.3 133
55 1.52 15
67 31.8 318
68 53.6 536
69 15.7 157
79 1.7 17
80 13.3 133
81 32.2 322
84 29.4 294
85 0.98 10
91 11.9 119
93 29.4 294
95 9.5 95
105 0.95 10
107 20.8 208
119 21.8 218
121 8.1 81
134 1.33 13
135 49.6 496
195 7.6 76
//