MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006254
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006254
RECORD_TITLE: 4-METHYLBENZYL ALCOHOL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA
CH$NAME: 4-METHYLBENZYL ALCOHOL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: OCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C8H10O/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
CH$LINK: CAS
589-18-4
CH$LINK: INCHIKEY
KMTDMTZBNYGUNX-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID5025574
AC$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 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-0adl-9700000000-b8f40122b485bec634a9
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
15 0.77 8
28 1.58 16
29 3.47 35
31 3.22 32
38 1.69 17
39 14.88 149
40 1.62 16
41 4.45 45
50 4.14 41
51 11.17 112
52 3.2 32
53 4.37 44
60 2.72 27
61 0.88 9
62 2.76 28
63 8.9 89
64 2.2 22
65 18.83 188
66 2 20
67 0.56 6
74 1.29 13
75 1.31 13
76 1.17 12
77 45.16 452
78 11.69 117
79 57.07 571
80 3.97 40
89 5.55 56
90 2.26 23
91 50.83 508
92 5.93 59
93 43.94 439
94 3.93 39
102 1.4 14
103 7.19 72
104 13.69 137
105 22.81 228
106 5.89 59
107 99.99 999
108 7.69 77
109 0.46 5
119 4.61 46
120 1.88 19
121 17.04 170
122 93.71 937
123 8.24 82
124 0.49 5
//