MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007150
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007150
RECORD_TITLE: PENTYL PHENYL KETONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: PENTYL PHENYL KETONE
CH$NAME: HEXANOPHENONE
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: CAS
942-92-7
CH$LINK: INCHIKEY
MAHPVQDVMLWUAG-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4061335
AC$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0adi-5900000000-3544c4df248702359c39
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
27 7.56 76
29 5.34 53
39 3.92 39
41 4.13 41
42 1.08 11
43 3.01 30
50 3.07 31
51 14.55 146
52 1.12 11
55 2.93 29
76 1.84 18
77 50.49 505
78 7.53 75
91 1.75 18
105 99.99 999
106 7.69 77
120 54.17 542
121 4.09 41
133 4.01 40
176 5.18 52
//