MassBank Record: MSBNK-Waters-WA002364
ACCESSION: MSBNK-Waters-WA002364
RECORD_TITLE: (R)-(-)-Phenylephrine; LC-ESI-Q; MS; POS; 45 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC
CH$NAME: Phenylephrine
CH$NAME: (R)-(-)-Phenylephrine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H13NO2
CH$EXACT_MASS: 167.09463
CH$SMILES: CNC[C@H](O)c(c1)cc(O)cc1
CH$IUPAC: InChI=1S/C9H13NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,9-12H,6H2,1H3/t9-/m0/s1
CH$LINK: CAS
59-42-7
CH$LINK: INCHIKEY
SONNWYBIRXJNDC-VIFPVBQESA-N
CH$LINK: COMPTOX
DTXSID9023465
AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 2.720 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0k96-5900000000-e40bc76a0297125c7c0c
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
77 20 20
79 59 59
80 16 16
81 239 239
82 16 16
86 35 35
91 999 999
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94 51 51
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103 31 31
105 35 35
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118 59 59
119 180 180
120 59 59
121 94 94
122 31 31
130 12 12
132 39 39
134 82 82
135 407 407
136 31 31
150 588 588
151 47 47
//
system version 2.2.6-SNAPSHOT