MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008441
ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008441
RECORD_TITLE: P-HYDROXYBENZALDEHYDE; 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$NAME: P-HYDROXYBENZALDEHYDE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6O2
CH$EXACT_MASS: 122.03678
CH$SMILES: O=Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
CH$LINK: INCHIKEY
RGHHSNMVTDWUBI-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID8059552
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$SPLASH: splash10-00di-9800000000-c8646d08ef8e23a3d49b
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
17 6.06 61
18 2.61 26
29 7.31 73
37 3.27 33
38 9.09 91
39 32.79 328
40 3.53 35
42 2.97 30
43 3.4 34
44 1.42 14
50 7.63 76
51 5.82 58
53 6.76 68
55 1.97 20
61 2.93 29
62 7.45 75
63 11.96 120
64 3.98 40
65 34.95 350
66 7.78 78
69 2.33 23
74 1.59 16
93 33.46 335
94 4.77 48
121 99.99 999
122 81.27 813
123 6.53 65
//
system version 2.2.8-SNAPSHOT