MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007116
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007116
RECORD_TITLE: ALPHA-PHELLANDRENE; 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$NAME: ALPHA-PHELLANDRENE
CH$NAME: 2-METHYL-5-(1-METHYLETHYL)-1,3-CYCLOHEXADIENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H16
CH$EXACT_MASS: 136.12520
CH$SMILES: CC(C)C(C1)C=CC(C)=C1
CH$IUPAC: InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3
CH$LINK: CAS
99-83-2
CH$LINK: INCHIKEY
OGLDWXZKYODSOB-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4047593
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$SPLASH: splash10-0006-9000000000-d9c4d62513c800749790
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
27 7.88 79
28 1.14 11
29 1.73 17
39 9.84 98
41 9.22 92
43 3.82 38
50 1.24 12
51 4.03 40
52 1.76 18
53 2.94 29
55 1.09 11
63 2.02 20
65 6.21 62
77 33.21 332
78 5.42 54
79 4.3 43
80 1.57 16
91 37.85 379
92 28.21 282
93 99.99 999
94 8.6 86
105 1.96 20
121 1.48 15
136 17.89 179
137 1.62 16
//