MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001666
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001666
RECORD_TITLE: PENTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL PHENYL KETONE
CH$NAME: HEXANO PHENONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16O
CH$EXACT_MASS: 176.12012
CH$SMILES: CCCCCC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C12H16O/c1-2-3-5-10-12(13)11-8-6-4-7-9-11/h4,6-9H,2-3,5,10H2,1H3
CH$LINK: INCHIKEY
MAHPVQDVMLWUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061335
AC$INSTRUMENT: HITACHI RMU-7M
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: splash10-0ab9-4900000000-1e3541af840b16205cde
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 3.73 37
29 2.78 28
39 2.52 25
41 3.13 31
43 3.39 34
50 2.17 22
51 9.64 96
55 3.39 34
76 1.39 14
77 43.75 438
78 7.03 70
91 1.74 17
105 99.99 999
106 7.64 76
119 1.56 16
120 53.73 537
121 4.77 48
133 4.69 47
134 1.13 11
176 2.08 21
//