MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004633
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004633
RECORD_TITLE: EXO-7-METHYLBICYCLO(4.1.0)HEPT-2-EN-ENDO-7-PROPANAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KATO T, DEPT. OF CHEM., FAC. OF SCI., TOHOKU UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: EXO-7-METHYLBICYCLO(4.1.0)HEPT-2-EN-ENDO-7-PROPANAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O
CH$EXACT_MASS: 164.12012
CH$SMILES: O=CCCC(C)(C([H])21)C([H])(C=CCC2)1
CH$IUPAC: InChI=1S/C11H16O/c1-11(7-4-8-12)9-5-2-3-6-10(9)11/h2,5,8-10H,3-4,6-7H2,1H3/t9-,10+,11-/m1/s1
CH$LINK: INCHIKEY
COWXSOPBSILZLU-OUAUKWLOSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-2900000000-866a6ca2bae99e44073b
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
18 33.7 337
43 3.5 35
58 3.2 32
78 0.49 5
80 7.3 73
84 3.7 37
91 15.2 152
92 0.99 10
94 5.5 55
104 32.9 329
105 5.1 51
106 0.56 6
107 43.2 432
117 4.9 49
118 4.3 43
119 0.4 4
120 99.99 999
131 30.3 303
163 1.2 12
164 4.8 48
//