MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007545
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007545
RECORD_TITLE: NERAL; 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$NAME: NERAL
CH$NAME: (Z)-3,7-DIMETHYL-2,6-OCTADIENAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16O
CH$EXACT_MASS: 152.12012
CH$SMILES: O=CC=C(C)CCC=C(C)C
CH$IUPAC: InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7-
CH$LINK: CAS
106-26-3
CH$LINK: INCHIKEY
WTEVQBCEXWBHNA-YFHOEESVSA-N
CH$LINK: COMPTOX
DTXSID60881216
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$SPLASH: splash10-014i-9100000000-f1553e4536424bf8c464
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
55 9.25 93
59 25.67 257
67 13.54 135
69 99.99 999
82 19.59 196
84 27.52 275
94 24.4 244
95 18.39 184
107 4.07 41
109 25.56 256
119 7.76 78
123 3.71 37
134 4.99 50
137 5 50
//