MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007566
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007566
RECORD_TITLE: PERILLALDEHYDE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA
CH$NAME: PERILLALDEHYDE
CH$NAME: 4-(1-METHYLETHENYL)-1-CYCLOHEXENE-1-CARBALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14O
CH$EXACT_MASS: 150.10447
CH$SMILES: O=CC(C1)=CCC(C(C)=C)C1
CH$IUPAC: InChI=1S/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
CH$LINK: CAS
2111-75-3
CH$LINK: INCHIKEY
RUMOYJJNUMEFDD-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID6051855
AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014i-9400000000-a85682020d5afcb60c38
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
41 10.08 101
43 8.49 85
53 13.66 137
55 10.11 101
67 43.14 431
68 99.99 999
79 51.31 513
80 12.53 125
93 27.85 279
95 20.03 200
107 42.21 422
108 20.14 201
121 22.17 222
122 25.06 251
132 4.46 45
135 21.33 213
150 21.93 219
151 2.41 24
//
system version 2.2.8-SNAPSHOT