MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP010241
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010241
RECORD_TITLE: DIMETHYL TRANS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KANEMASA S, INST. OF ADVANCED MATERIAL STUDY KYUSHU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: DIMETHYL TRANS-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$NAME: DIMETHYL (1S,2S)-4-ACRYLOYL-4-CYCLOHEXENE-1,2-DICARBOXYLATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O5
CH$EXACT_MASS: 252.09977
CH$SMILES: C=CC(=O)C(=C1)CC([H])(C(=O)OC)C([H])(C1)C(=O)OC
CH$IUPAC: InChI=1S/C13H16O5/c1-4-11(14)8-5-6-9(12(15)17-2)10(7-8)13(16)18-3/h4-5,9-10H,1,6-7H2,2-3H3/t9-,10-/m0/s1
CH$LINK: INCHIKEY
MFKLHWNYBKUURK-UWVGGRQHSA-N
AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-008c-0920000000-6120df7a010970f12ab5
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
55 7.33 73
59 1.76 18
77 3.72 37
79 1.4 14
91 1.64 16
93 1.33 13
103 1.28 13
105 4.03 40
115 1.7 17
131 1.19 12
132 3.26 33
133 99.99 999
134 10.7 107
135 1.51 15
137 5.11 51
138 1.15 12
160 4.29 43
161 7.45 75
165 2.11 21
177 5.3 53
192 83.2 832
193 15.69 157
194 2.02 20
220 53.5 535
221 23.12 231
222 3.74 37
253 2.36 24
//