MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008491
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008491
RECORD_TITLE: CIS-3-HEXENYL BENZOATE; 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$NAME: CIS-3-HEXENYL BENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C13H16O2
CH$EXACT_MASS: 204.11503
CH$SMILES: CCC=CCCOC(=O)c(c1)cccc1
CH$IUPAC: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
CH$LINK: INCHIKEY
BCOXBEHFBZOJJZ-ARJAWSKDSA-N
CH$LINK: COMPTOX
DTXSID3047554
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$SPLASH: splash10-0arr-9200000000-81473c0496fc70351f74
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
16 1.22 12
27 7.66 77
29 3.06 31
39 11.17 112
41 17.32 173
42 2.06 21
50 4.67 47
51 19.91 199
52 1.66 17
53 4.18 42
54 5.51 55
55 4.89 49
65 1.65 17
66 1.05 11
67 63.27 633
68 3.4 34
75 1.22 12
76 3.06 31
77 61.22 612
78 3.79 38
79 2.31 23
81 4.06 41
82 97.45 975
83 5.33 53
105 99.99 999
106 6.13 61
123 3.76 38
//